4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C13H14N4 — CID 134116460

IUPAC4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)CCC2
InChIInChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17)
InChIKeyCNPJNNGRCDYYKK-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.29
Rot. Bonds2

About 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 134116460) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID134116460
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)CCC2
InChIInChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17)
InChIKeyCNPJNNGRCDYYKK-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22695657
4-hydrazinyl-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 94672736
2-cyclopentyloxy-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 141401147
chlorobenzene;4-N-(5-methyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 174463596
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117102157
4-N-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 117101960
N,3-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine
CID 14909209
4-N-(2-bromophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102470
N-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanesulfonamide
CID 25039003
N-phenyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
CID 645556
2-amino-4-anilino-6-methylpyrimidine-5-carboxylic acid
CID 150188567
4-N-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine
CID 117102472

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 134116460) is 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccccc3)n1)CCC2.
What is the InChIKey of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is CNPJNNGRCDYYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13-16-11-8-4-7-10(11)12(17-13)15-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,14,15,16,17).
What are the key properties of 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 226.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 134116460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).