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

C14H15ClN6O — CID 19136050

IUPACN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESC=CCNc1ncnc(NNC(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C14H15ClN6O/c1-2-7-17-12-11(16)13(19-8-18-12)20-21-14(22)9-5-3-4-6-10(9)15/h2-6,8H,1,7,16H2,(H,21,22)(H2,17,18,19,20)
InChIKeyMWXMAAMUGIQEDH-UHFFFAOYSA-N
MW318.77 g/mol
LogP2.07
Rot. Bonds6

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

N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide (PubChem CID 19136050) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide
PubChem CID19136050
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC NameN'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide
SMILESC=CCNc1ncnc(NNC(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C14H15ClN6O/c1-2-7-17-12-11(16)13(19-8-18-12)20-21-14(22)9-5-3-4-6-10(9)15/h2-6,8H,1,7,16H2,(H,21,22)(H2,17,18,19,20)
InChIKeyMWXMAAMUGIQEDH-UHFFFAOYSA-N
XLogP2.07
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 52.07
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-methylbenzohydrazide
CID 19136045
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151344
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19148804
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-(5-amino-6-piperidin-1-ylpyrimidin-4-yl)-2-chlorobenzohydrazide
CID 19137533
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151296
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150908
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149615

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide (CID 19136050) is N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide is C=CCNc1ncnc(NNC(=O)c2ccccc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide?
The InChIKey is MWXMAAMUGIQEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-2-7-17-12-11(16)13(19-8-18-12)20-21-14(22)9-5-3-4-6-10(9)15/h2-6,8H,1,7,16H2,(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-chlorobenzohydrazide?
N'-[5-amino-6-(prop-2-enylamino)pyrimidin-4-yl]-2-chlorobenzohydrazide has a molecular weight of 318.77 g/mol, XLogP of 2.07, 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-chlorobenzohydrazide is sourced from PubChem (CID 19136050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).