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

C42H51N15O6 — CID 167626434

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
SMILESCc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N6O.C14H17N5O2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;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);4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18)
InChIKeyNDYXCGOMFYHALV-UHFFFAOYSA-N
MW861.97 g/mol
LogP6.11
Rot. Bonds12

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)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 (PubChem CID 167626434) has the molecular formula C42H51N15O6 and a molecular weight of 861.97 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.

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
PubChem CID167626434
Molecular FormulaC42H51N15O6
Molecular Weight861.97 g/mol
Exact Mass861.41
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
SMILESCc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)ncc2C(C)C)c(N)n1.[H]/N=C(\N)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1
InChIInChI=1S/C14H18N6O.C14H17N5O2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;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);4-7H,1-3H3,(H2,16,20)(H2,15,17,19);4-7H,1-3H3,(H,19,20)(H2,15,16,18)
InChIKeyNDYXCGOMFYHALV-UHFFFAOYSA-N
XLogP6.11
TPSA352.02 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500861.97
LogP ≤ 56.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

CID 90182132
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CID 123597482
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CID 123965770
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CID 123982337
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CID 129167333
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CID 158044750
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CID 158506326
CID 158506326
CID 158685563
CID 158685563

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?
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 (CID 167626434) 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.
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?
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 is Cc1ncc(Oc2cc(C(=O)O)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(C(N)=O)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?
The InChIKey is NDYXCGOMFYHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.C14H17N5O2.C14H16N4O3/c1-7(2)9-5-19-10(13(15)16)4-11(9)21-12-6-18-8(3)20-14(12)17;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);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)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 has a molecular weight of 861.97 g/mol, XLogP of 6.11, 12 rotatable bonds, 7 hydrogen bond donors, and 18 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 is sourced from PubChem (CID 167626434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).