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

C15H18N6O — CID 19136045

IUPACN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESC=CCNc1ncnc(NNC(=O)c2ccccc2C)c1N
InChIInChI=1S/C15H18N6O/c1-3-8-17-13-12(16)14(19-9-18-13)20-21-15(22)11-7-5-4-6-10(11)2/h3-7,9H,1,8,16H2,2H3,(H,21,22)(H2,17,18,19,20)
InChIKeyUQWUPDSKTQBSNA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.72
Rot. Bonds6

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

N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (PubChem CID 19136045) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
PubChem CID19136045
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC NameN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
SMILESC=CCNc1ncnc(NNC(=O)c2ccccc2C)c1N
InChIInChI=1S/C15H18N6O/c1-3-8-17-13-12(16)14(19-9-18-13)20-21-15(22)11-7-5-4-6-10(11)2/h3-7,9H,1,8,16H2,2H3,(H,21,22)(H2,17,18,19,20)
InChIKeyUQWUPDSKTQBSNA-UHFFFAOYSA-N
XLogP1.72
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19136050
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
N'-[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150929
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-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22547281
N'-[5-amino-6-(3-chloro-4-methylanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 22546673
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
4-[[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145319
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The IUPAC name of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide (CID 19136045) is N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is C=CCNc1ncnc(NNC(=O)c2ccccc2C)c1N.
What is the InChIKey of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
The InChIKey is UQWUPDSKTQBSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-3-8-17-13-12(16)14(19-9-18-13)20-21-15(22)11-7-5-4-6-10(11)2/h3-7,9H,1,8,16H2,2H3,(H,21,22)(H2,17,18,19,20).
What are the key properties of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide?
N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide has a molecular weight of 298.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-methylbenzohydrazide is sourced from PubChem (CID 19136045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).