N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine

C14H13ClN4 — CID 133277622

IUPACN-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
SMILESClc1ccc2c(CCNc3ncccn3)c[nH]c2c1
InChIInChI=1S/C14H13ClN4/c15-11-2-3-12-10(9-19-13(12)8-11)4-7-18-14-16-5-1-6-17-14/h1-3,5-6,8-9,19H,4,7H2,(H,16,17,18)
InChIKeyCLLGJWQPNUZJLV-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.27
Rot. Bonds4

About N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine

N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 133277622) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
PubChem CID133277622
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC NameN-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
SMILESClc1ccc2c(CCNc3ncccn3)c[nH]c2c1
InChIInChI=1S/C14H13ClN4/c15-11-2-3-12-10(9-19-13(12)8-11)4-7-18-14-16-5-1-6-17-14/h1-3,5-6,8-9,19H,4,7H2,(H,16,17,18)
InChIKeyCLLGJWQPNUZJLV-UHFFFAOYSA-N
XLogP3.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
3-(6-chloro-1H-indol-3-yl)propanenitrile
CID 82396450
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
6-chloro-3-(2,2-dimethylpropyl)-1H-indole
CID 59153141
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113083900
N-[2-(6-chloro-1H-indol-3-yl)ethyl]thiophene-2-sulfonamide
CID 113083889
4-N-(4-chlorophenyl)-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862383
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3,4-difluorobenzamide
CID 113083843
2-(6-chloro-1H-indol-3-yl)ethyl N-methylcarbamate
CID 175327400

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine (CID 133277622) is N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine is Clc1ccc2c(CCNc3ncccn3)c[nH]c2c1.
What is the InChIKey of N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is CLLGJWQPNUZJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c15-11-2-3-12-10(9-19-13(12)8-11)4-7-18-14-16-5-1-6-17-14/h1-3,5-6,8-9,19H,4,7H2,(H,16,17,18).
What are the key properties of N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine?
N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 272.74 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133277622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).