4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine

C15H18N4O — CID 19152582

IUPAC4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCC2)ncnc1Oc1ccccc1
InChIInChI=1S/C15H18N4O/c16-13-14(19-11-6-4-5-7-11)17-10-18-15(13)20-12-8-2-1-3-9-12/h1-3,8-11H,4-7,16H2,(H,17,18,19)
InChIKeyGYDUBWLUHLLVCR-UHFFFAOYSA-N
MW270.34 g/mol
LogP3.21
Rot. Bonds4

About 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine

4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine (PubChem CID 19152582) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
PubChem CID19152582
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine
SMILESNc1c(NC2CCCC2)ncnc1Oc1ccccc1
InChIInChI=1S/C15H18N4O/c16-13-14(19-11-6-4-5-7-11)17-10-18-15(13)20-12-8-2-1-3-9-12/h1-3,8-11H,4-7,16H2,(H,17,18,19)
InChIKeyGYDUBWLUHLLVCR-UHFFFAOYSA-N
XLogP3.21
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]oxybenzoate
CID 22544845
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779
6-phenoxy-4-N-(4-phenoxyphenyl)pyrimidine-4,5-diamine
CID 19152592
4-N-(1-adamantyl)-6-phenoxypyrimidine-4,5-diamine
CID 19143509
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138132

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine (CID 19152582) is 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine is Nc1c(NC2CCCC2)ncnc1Oc1ccccc1.
What is the InChIKey of 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine?
The InChIKey is GYDUBWLUHLLVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-13-14(19-11-6-4-5-7-11)17-10-18-15(13)20-12-8-2-1-3-9-12/h1-3,8-11H,4-7,16H2,(H,17,18,19).
What are the key properties of 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine?
4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine has a molecular weight of 270.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-phenoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19152582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).