N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

C19H26N6O2 — CID 19152339

IUPACN'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NNC(=O)COc2ccccc2)ncnc1NC1CCCCCC1
InChIInChI=1S/C19H26N6O2/c20-17-18(23-14-8-4-1-2-5-9-14)21-13-22-19(17)25-24-16(26)12-27-15-10-6-3-7-11-15/h3,6-7,10-11,13-14H,1-2,4-5,8-9,12,20H2,(H,24,26)(H2,21,22,23,25)
InChIKeyCTHSTVBCNVUOEW-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.72
Rot. Bonds7

About N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide

N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 19152339) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID19152339
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NNC(=O)COc2ccccc2)ncnc1NC1CCCCCC1
InChIInChI=1S/C19H26N6O2/c20-17-18(23-14-8-4-1-2-5-9-14)21-13-22-19(17)25-24-16(26)12-27-15-10-6-3-7-11-15/h3,6-7,10-11,13-14H,1-2,4-5,8-9,12,20H2,(H,24,26)(H2,21,22,23,25)
InChIKeyCTHSTVBCNVUOEW-UHFFFAOYSA-N
XLogP2.72
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.72
H-Bond Donors ≤ 54
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-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
N'-[5-amino-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19140355
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N'-[6-(cyclohexylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 23487797
N'-[6-(cycloheptylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide
CID 22537071
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
CID 19152582
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
methyl 2-[[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate
CID 19146255
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 19152339) is N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is Nc1c(NNC(=O)COc2ccccc2)ncnc1NC1CCCCCC1.
What is the InChIKey of N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is CTHSTVBCNVUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c20-17-18(23-14-8-4-1-2-5-9-14)21-13-22-19(17)25-24-16(26)12-27-15-10-6-3-7-11-15/h3,6-7,10-11,13-14H,1-2,4-5,8-9,12,20H2,(H,24,26)(H2,21,22,23,25).
What are the key properties of N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 370.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 19152339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).