4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide

C56H68N20O6S2 — CID 158623561

IUPAC4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide
SMILESCc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N6O.C14H17N5O2.C14H17N5S2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15/h4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18)
InChIKeyHYHMAZHTRHYSDN-UHFFFAOYSA-N
MW1181.43 g/mol
LogP8.79
Rot. Bonds16

About 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide

4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide (PubChem CID 158623561) has the molecular formula C56H68N20O6S2 and a molecular weight of 1181.43 g/mol. Its IUPAC name is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide
PubChem CID158623561
Molecular FormulaC56H68N20O6S2
Molecular Weight1181.43 g/mol
Exact Mass1180.51
IUPAC Name4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide
SMILESCc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N6O.C14H17N5O2.C14H17N5S2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15/h4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18)
InChIKeyHYHMAZHTRHYSDN-UHFFFAOYSA-N
XLogP8.79
TPSA442.73 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001181.43
LogP ≤ 58.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide?
The IUPAC name of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide (CID 158623561) is 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide.
What is the SMILES notation for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide?
The canonical SMILES for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide is Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C(N)=S)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.
What is the InChIKey of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide?
The InChIKey is HYHMAZHTRHYSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.C14H17N5O2.C14H17N5S2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;2*1-7(2)9-5-18-10(14(16)20)4-11(9)21-12-6-17-8(3)19-13(12)15;1-7(2)9-5-17-10(14(19)20)4-11(9)21-12-6-16-8(3)18-13(12)15/h4-7H,1-3H3,(H3,15,16)(H2,17,18,20);2*4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18).
What are the key properties of 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide?
4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide has a molecular weight of 1181.43 g/mol, XLogP of 8.79, 16 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboximidamide;4-(4-amino-2-methylpyrimidin-5-yl)oxy-5-propan-2-ylpyridine-2-carboxylic acid;4-(4-amino-2-methylpyrimidin-5-yl)sulfanyl-5-propan-2-ylpyridine-2-carbothioamide is sourced from PubChem (CID 158623561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).