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

C17H24N6O — CID 19150908

IUPACN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C17H24N6O/c1-11(2)8-9-19-15-14(18)16(21-10-20-15)22-23-17(24)13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,18H2,1-3H3,(H,23,24)(H2,19,20,21,22)
InChIKeyFIIYDZNLKPUWKB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds7

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

N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19150908) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19150908
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNc1ncnc(NCCC(C)C)c1N
InChIInChI=1S/C17H24N6O/c1-11(2)8-9-19-15-14(18)16(21-10-20-15)22-23-17(24)13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,18H2,1-3H3,(H,23,24)(H2,19,20,21,22)
InChIKeyFIIYDZNLKPUWKB-UHFFFAOYSA-N
XLogP2.58
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-methoxybenzohydrazide
CID 19151468
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19151979
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
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
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-(2,5-dichloroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19146738
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19136050

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19150908) is N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNc1ncnc(NCCC(C)C)c1N.
What is the InChIKey of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is FIIYDZNLKPUWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11(2)8-9-19-15-14(18)16(21-10-20-15)22-23-17(24)13-7-5-4-6-12(13)3/h4-7,10-11H,8-9,18H2,1-3H3,(H,23,24)(H2,19,20,21,22).
What are the key properties of N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 328.42 g/mol, XLogP of 2.58, 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-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19150908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).