2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

C14H23N5 — CID 62833677

IUPAC2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2
InChIKeyUBCKVNVWOGYZAK-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.44
Rot. Bonds3

About 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (PubChem CID 62833677) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
PubChem CID62833677
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine
SMILESNCCN1CCCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2
InChIKeyUBCKVNVWOGYZAK-UHFFFAOYSA-N
XLogP0.44
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine 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

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]ethanethioamide
CID 63336944
2-[4-(6,7-dimethylquinazolin-4-yl)-1,4-diazepan-1-yl]ethanamine
CID 160817800
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyethanamine
CID 82692403
4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;dihydrochloride
CID 154583498
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 82688762
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
4-[4-(4-bromophenyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155980197
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
4-[4-(azetidin-3-yl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66203164

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The IUPAC name of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine (CID 62833677) is 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The canonical SMILES for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is NCCN1CCCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
The InChIKey is UBCKVNVWOGYZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-5-8-18-6-2-7-19(10-9-18)14-12-3-1-4-13(12)16-11-17-14/h11H,1-10,15H2.
What are the key properties of 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine?
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanamine is sourced from PubChem (CID 62833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).