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

C16H19ClN6O — CID 19151564

IUPACN'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NC1CCCC1
InChIInChI=1S/C16H19ClN6O/c17-11-5-3-4-10(8-11)16(24)23-22-15-13(18)14(19-9-20-15)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7,18H2,(H,23,24)(H2,19,20,21,22)
InChIKeyWQFIIKBYHPRMOF-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.82
Rot. Bonds5

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

N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19151564) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19151564
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC NameN'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESNc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NC1CCCC1
InChIInChI=1S/C16H19ClN6O/c17-11-5-3-4-10(8-11)16(24)23-22-15-13(18)14(19-9-20-15)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7,18H2,(H,23,24)(H2,19,20,21,22)
InChIKeyWQFIIKBYHPRMOF-UHFFFAOYSA-N
XLogP2.82
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.82
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-(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-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19135857
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151567
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
N'-[5-amino-6-[(2-chloro-3-pyridinyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151582
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151561
N'-[5-amino-6-(5-chloro-2,4-dimethoxyanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151549
N'-[5-amino-6-(quinolin-8-ylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19144781

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19151564) is N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is Nc1c(NNC(=O)c2cccc(Cl)c2)ncnc1NC1CCCC1.
What is the InChIKey of N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is WQFIIKBYHPRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c17-11-5-3-4-10(8-11)16(24)23-22-15-13(18)14(19-9-20-15)21-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7,18H2,(H,23,24)(H2,19,20,21,22).
What are the key properties of N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 346.82 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19151564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).