6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine

C11H18ClN3 — CID 80944320

IUPAC6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NC(CC)CC)n1
InChIInChI=1S/C11H18ClN3/c1-4-8(5-2)13-11-7-9(12)14-10(6-3)15-11/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFVGPNAJVGNHOAU-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.29
Rot. Bonds5

About 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine

6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine (PubChem CID 80944320) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
PubChem CID80944320
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NC(CC)CC)n1
InChIInChI=1S/C11H18ClN3/c1-4-8(5-2)13-11-7-9(12)14-10(6-3)15-11/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFVGPNAJVGNHOAU-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80936381
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80936336
4-chloro-2,6-diethylpyrimidine
CID 43557605
6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
CID 103703612
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 113496687
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327
2-chloro-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 87084099
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine (CID 80944320) is 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine is CCc1nc(Cl)cc(NC(CC)CC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine?
The InChIKey is FVGPNAJVGNHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-8(5-2)13-11-7-9(12)14-10(6-3)15-11/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine?
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine is sourced from PubChem (CID 80944320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).