N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H17ClN4 — CID 111465508

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1ccc2[nH]cc(CCNC3=NCCCN3)c2c1
InChIInChI=1S/C14H17ClN4/c15-11-2-3-13-12(8-11)10(9-19-13)4-7-18-14-16-5-1-6-17-14/h2-3,8-9,19H,1,4-7H2,(H2,16,17,18)
InChIKeyPHUGHMIDPDLKEE-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.30
Rot. Bonds3

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 111465508) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID111465508
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESClc1ccc2[nH]cc(CCNC3=NCCCN3)c2c1
InChIInChI=1S/C14H17ClN4/c15-11-2-3-13-12(8-11)10(9-19-13)4-7-18-14-16-5-1-6-17-14/h2-3,8-9,19H,1,4-7H2,(H2,16,17,18)
InChIKeyPHUGHMIDPDLKEE-UHFFFAOYSA-N
XLogP2.30
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-difluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111573054
N-[2-(5-bromo-2-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918871
2-(5-chloro-1H-indol-3-yl)ethylazanium chloride
CID 11736386
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
N-(2-naphthalen-1-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915371
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112638
N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 133277622
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
N-[2-(5-chloroindol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120966499
3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
6-chloro-N-[2-(1H-indol-3-yl)ethyl]quinolin-4-amine
CID 110433242

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 111465508) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Clc1ccc2[nH]cc(CCNC3=NCCCN3)c2c1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is PHUGHMIDPDLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-11-2-3-13-12(8-11)10(9-19-13)4-7-18-14-16-5-1-6-17-14/h2-3,8-9,19H,1,4-7H2,(H2,16,17,18).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 111465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).