4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

C17H17ClN4 — CID 94674630

IUPAC4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)nc2c1CCC2
InChIInChI=1S/C17H17ClN4/c18-16-13-5-3-7-15(13)21-17(22-16)19-9-8-11-10-20-14-6-2-1-4-12(11)14/h1-2,4,6,10,20H,3,5,7-9H2,(H,19,21,22)
InChIKeyWQQHENGTCIHGLT-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 94674630) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID94674630
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
SMILESClc1nc(NCCc2c[nH]c3ccccc23)nc2c1CCC2
InChIInChI=1S/C17H17ClN4/c18-16-13-5-3-7-15(13)21-17(22-16)19-9-8-11-10-20-14-6-2-1-4-12(11)14/h1-2,4,6,10,20H,3,5,7-9H2,(H,19,21,22)
InChIKeyWQQHENGTCIHGLT-UHFFFAOYSA-N
XLogP3.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883844
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
N-[2-(1H-indol-3-yl)ethyl]-4,6-bis(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 46855458
2-[2-(1H-indol-3-yl)ethylamino]-4-[(3-methylcyclobutyl)amino]pyrimidine-5-carbonitrile
CID 144872359
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrol-2-amine
CID 164562122
4-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-N-(2,4,6-trimethylphenyl)-1,3,5-triazine-2,4-diamine
CID 10834051
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-5,6-dimethylpyrimidin-4-amine
CID 82460644
5-(azepan-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazin-3-amine
CID 112955841
2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932688

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (CID 94674630) is 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is Clc1nc(NCCc2c[nH]c3ccccc23)nc2c1CCC2.
What is the InChIKey of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is WQQHENGTCIHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-16-13-5-3-7-15(13)21-17(22-16)19-9-8-11-10-20-14-6-2-1-4-12(11)14/h1-2,4,6,10,20H,3,5,7-9H2,(H,19,21,22).
What are the key properties of 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine?
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 312.80 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1H-indol-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 94674630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).