2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine

C12H20ClN3 — CID 62342460

IUPAC2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-4-10(5-2)9-16(6-3)11-7-8-14-12(13)15-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYERWNLXZUXAFSJ-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.39
Rot. Bonds6

About 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine

2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine (PubChem CID 62342460) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
PubChem CID62342460
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine
SMILESCCC(CC)CN(CC)c1ccnc(Cl)n1
InChIInChI=1S/C12H20ClN3/c1-4-10(5-2)9-16(6-3)11-7-8-14-12(13)15-11/h7-8,10H,4-6,9H2,1-3H3
InChIKeyYERWNLXZUXAFSJ-UHFFFAOYSA-N
XLogP3.39
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N,N-bis(2-methylpropyl)pyrimidin-4-amine
CID 62343656
4-N-ethyl-4-N-(2-ethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80799138
1-[(2-chloropyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 79385487
6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
CID 80648336
5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(2-ethylbutyl)pyridin-2-amine
CID 63489637
2-chloro-6-[ethyl(2-ethylbutyl)amino]pyridine-4-carbonitrile
CID 83074738
N-ethyl-N-(2-ethylbutyl)-6-hydrazinylpyridin-2-amine
CID 80895786
5-(chloromethyl)-N-ethyl-N-(2-ethylbutyl)pyrazin-2-amine
CID 107373392
2-N-ethyl-2-N-(2-ethylbutyl)-6-methoxypyridine-2,5-diamine
CID 43587823
2-chloro-N-(2,2-dimethoxyethyl)-N-methylpyrimidin-4-amine
CID 121204746
2-[ethyl(2-ethylbutyl)amino]pyrimidine-4-carbothioamide
CID 107546820
2-chloro-N-ethyl-N-(2-ethylbutyl)quinazolin-4-amine
CID 63550299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine (CID 62342460) is 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine is CCC(CC)CN(CC)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine?
The InChIKey is YERWNLXZUXAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-4-10(5-2)9-16(6-3)11-7-8-14-12(13)15-11/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine?
2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine has a molecular weight of 241.77 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-ethylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 62342460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).