N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H16N4 — CID 63765895

IUPACN-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNCc1ccccc1Nc1ncnc2c1CCC2
InChIInChI=1S/C14H16N4/c15-8-10-4-1-2-6-12(10)18-14-11-5-3-7-13(11)16-9-17-14/h1-2,4,6,9H,3,5,7-8,15H2,(H,16,17,18)
InChIKeyZKLUHXQTGJKFRQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.17
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63765895) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63765895
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESNCc1ccccc1Nc1ncnc2c1CCC2
InChIInChI=1S/C14H16N4/c15-8-10-4-1-2-6-12(10)18-14-11-5-3-7-13(11)16-9-17-14/h1-2,4,6,9H,3,5,7-8,15H2,(H,16,17,18)
InChIKeyZKLUHXQTGJKFRQ-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
N-(2,5-dimethoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 59722522
2-phenyl-2-N-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,2-diamine
CID 105060634
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
N-(3-phenoxypropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62832621
1-phenyl-N'-(5,6,7,8-tetrahydroquinazolin-4-yl)propane-1,3-diamine
CID 80505450
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 114008881
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
2-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 63760989

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63765895) is N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is NCc1ccccc1Nc1ncnc2c1CCC2.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is ZKLUHXQTGJKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-8-10-4-1-2-6-12(10)18-14-11-5-3-7-13(11)16-9-17-14/h1-2,4,6,9H,3,5,7-8,15H2,(H,16,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63765895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).