N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide

C15H21N7O — CID 19151979

IUPACN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCC(C)CCNc1ncnc(NNC(=O)c2ccccn2)c1N
InChIInChI=1S/C15H21N7O/c1-10(2)6-8-18-13-12(16)14(20-9-19-13)21-22-15(23)11-5-3-4-7-17-11/h3-5,7,9-10H,6,8,16H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyICMZPJFMUBFVBA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.67
Rot. Bonds7

About N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide

N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide (PubChem CID 19151979) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
PubChem CID19151979
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
SMILESCC(C)CCNc1ncnc(NNC(=O)c2ccccn2)c1N
InChIInChI=1S/C15H21N7O/c1-10(2)6-8-18-13-12(16)14(20-9-19-13)21-22-15(23)11-5-3-4-7-17-11/h3-5,7,9-10H,6,8,16H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyICMZPJFMUBFVBA-UHFFFAOYSA-N
XLogP1.67
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151468
N'-[5-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 23487392
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-[[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19153151
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-(5-amino-6-cyclohexyloxypyrimidin-4-yl)pyridine-2-carbohydrazide
CID 19152018
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[6-(3-methylbutylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537046

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide (CID 19151979) is N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide is CC(C)CCNc1ncnc(NNC(=O)c2ccccn2)c1N.
What is the InChIKey of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
The InChIKey is ICMZPJFMUBFVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-10(2)6-8-18-13-12(16)14(20-9-19-13)21-22-15(23)11-5-3-4-7-17-11/h3-5,7,9-10H,6,8,16H2,1-2H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide?
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide has a molecular weight of 315.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide is sourced from PubChem (CID 19151979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).