2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide

C17H23N5O2 — CID 54851549

IUPAC2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(-c2ccc(OCCC(C)C)cc2)c1C(=O)NN
InChIInChI=1S/C17H23N5O2/c1-10(2)8-9-24-13-6-4-12(5-7-13)15-14(16(23)22-19)11(3)20-17(18)21-15/h4-7,10H,8-9,19H2,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyZNHSNVDMOAQIES-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds6

About 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide

2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide (PubChem CID 54851549) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
PubChem CID54851549
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
SMILESCc1nc(N)nc(-c2ccc(OCCC(C)C)cc2)c1C(=O)NN
InChIInChI=1S/C17H23N5O2/c1-10(2)8-9-24-13-6-4-12(5-7-13)15-14(16(23)22-19)11(3)20-17(18)21-15/h4-7,10H,8-9,19H2,1-3H3,(H,22,23)(H2,18,20,21)
InChIKeyZNHSNVDMOAQIES-UHFFFAOYSA-N
XLogP2.06
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
2-amino-4-methyl-6-(4-propan-2-ylphenyl)pyrimidine-5-carbohydrazide
CID 54851090
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-N,4-dimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853951
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide?
The IUPAC name of 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide (CID 54851549) is 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide is Cc1nc(N)nc(-c2ccc(OCCC(C)C)cc2)c1C(=O)NN.
What is the InChIKey of 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide?
The InChIKey is ZNHSNVDMOAQIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)8-9-24-13-6-4-12(5-7-13)15-14(16(23)22-19)11(3)20-17(18)21-15/h4-7,10H,8-9,19H2,1-3H3,(H,22,23)(H2,18,20,21).
What are the key properties of 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide?
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide has a molecular weight of 329.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 54851549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).