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

C13H15ClN6O — CID 19135280

IUPACN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCCNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1N
InChIInChI=1S/C13H15ClN6O/c1-2-16-11-10(15)12(18-7-17-11)19-20-13(21)8-4-3-5-9(14)6-8/h3-7H,2,15H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyRKCKMJRYJVMODU-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.90
Rot. Bonds5

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

N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (PubChem CID 19135280) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
PubChem CID19135280
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC NameN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
SMILESCCNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1N
InChIInChI=1S/C13H15ClN6O/c1-2-16-11-10(15)12(18-7-17-11)19-20-13(21)8-4-3-5-9(14)6-8/h3-7H,2,15H2,1H3,(H,20,21)(H2,16,17,18,19)
InChIKeyRKCKMJRYJVMODU-UHFFFAOYSA-N
XLogP1.90
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.90
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-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19142591
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 22541026
N'-[5-amino-6-[butyl(methyl)amino]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139837
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
N'-[5-amino-6-(4-bromoanilino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19148807
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-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
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-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide (CID 19135280) is N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is CCNc1ncnc(NNC(=O)c2cccc(Cl)c2)c1N.
What is the InChIKey of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
The InChIKey is RKCKMJRYJVMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c1-2-16-11-10(15)12(18-7-17-11)19-20-13(21)8-4-3-5-9(14)6-8/h3-7H,2,15H2,1H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide?
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide has a molecular weight of 306.76 g/mol, XLogP of 1.90, 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-(ethylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide is sourced from PubChem (CID 19135280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).