N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide

C16H22N6O — CID 19134881

IUPACN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCCCCNc1ncnc(NNC(=O)c2ccccc2C)c1N
InChIInChI=1S/C16H22N6O/c1-3-4-9-18-14-13(17)15(20-10-19-14)21-22-16(23)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyCTECORWZAVEKPU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.34
Rot. Bonds7

About N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide

N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19134881) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19134881
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCCCCNc1ncnc(NNC(=O)c2ccccc2C)c1N
InChIInChI=1S/C16H22N6O/c1-3-4-9-18-14-13(17)15(20-10-19-14)21-22-16(23)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,17H2,1-2H3,(H,22,23)(H2,18,19,20,21)
InChIKeyCTECORWZAVEKPU-UHFFFAOYSA-N
XLogP2.34
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19136045
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150929
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
4-[[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145319
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19134881) is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is CCCCNc1ncnc(NNC(=O)c2ccccc2C)c1N.
What is the InChIKey of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is CTECORWZAVEKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-4-9-18-14-13(17)15(20-10-19-14)21-22-16(23)12-8-6-5-7-11(12)2/h5-8,10H,3-4,9,17H2,1-2H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 314.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19134881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).