N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide

C16H20ClN7O — CID 19138262

IUPACN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCN1CCN(c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1
InChIInChI=1S/C16H20ClN7O/c1-23-5-7-24(8-6-23)15-13(18)14(19-10-20-15)21-22-16(25)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8,18H2,1H3,(H,22,25)(H,19,20,21)
InChIKeyWORZUURORDOISQ-UHFFFAOYSA-N
MW361.84 g/mol
LogP1.22
Rot. Bonds4

About N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide

N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19138262) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19138262
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC NameN'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCN1CCN(c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1
InChIInChI=1S/C16H20ClN7O/c1-23-5-7-24(8-6-23)15-13(18)14(19-10-20-15)21-22-16(25)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8,18H2,1H3,(H,22,25)(H,19,20,21)
InChIKeyWORZUURORDOISQ-UHFFFAOYSA-N
XLogP1.22
TPSA99.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19135280
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
CID 19138163
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19138271
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19139156
N'-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139837
N'-[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151703

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19138262) is N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide is CN1CCN(c2ncnc(NNC(=O)c3cccc(Cl)c3)c2N)CC1.
What is the InChIKey of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is WORZUURORDOISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O/c1-23-5-7-24(8-6-23)15-13(18)14(19-10-20-15)21-22-16(25)11-3-2-4-12(17)9-11/h2-4,9-10H,5-8,18H2,1H3,(H,22,25)(H,19,20,21).
What are the key properties of N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 361.84 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).