N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H17ClN4 — CID 120966499

IUPACN-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1ccc2c(ccn2CCNC2=NCCCN2)c1
InChIInChI=1S/C14H17ClN4/c15-12-2-3-13-11(10-12)4-8-19(13)9-7-18-14-16-5-1-6-17-14/h2-4,8,10H,1,5-7,9H2,(H2,16,17,18)
InChIKeyOVZORZVIQUHTGF-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 120966499) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID120966499
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1ccc2c(ccn2CCNC2=NCCCN2)c1
InChIInChI=1S/C14H17ClN4/c15-12-2-3-13-11(10-12)4-8-19(13)9-7-18-14-16-5-1-6-17-14/h2-4,8,10H,1,5-7,9H2,(H2,16,17,18)
InChIKeyOVZORZVIQUHTGF-UHFFFAOYSA-N
XLogP2.23
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 120966499) is N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Clc1ccc2c(ccn2CCNC2=NCCCN2)c1.
What is the InChIKey of N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is OVZORZVIQUHTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-12-2-3-13-11(10-12)4-8-19(13)9-7-18-14-16-5-1-6-17-14/h2-4,8,10H,1,5-7,9H2,(H2,16,17,18).
What are the key properties of N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 120966499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).