6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine

C11H18ClN3 — CID 80935562

IUPAC6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC(C)CC)n1
InChIInChI=1S/C11H18ClN3/c1-4-8(3)7-13-11-6-9(12)14-10(5-2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHPGYVJOUKULQEO-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.15
Rot. Bonds5

About 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine (PubChem CID 80935562) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
PubChem CID80935562
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC(C)CC)n1
InChIInChI=1S/C11H18ClN3/c1-4-8(3)7-13-11-6-9(12)14-10(5-2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyHPGYVJOUKULQEO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
6-chloro-N-(2-methylbutyl)pyrimidin-4-amine
CID 62693783
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890
2-chloro-4-N-[(2R)-2-methylbutyl]pyrimidine-4,6-diamine
CID 137483617
N-(2-chloropropyl)-2-ethyl-6-methylpyrimidin-4-amine
CID 130512726
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
6-chloro-2-ethyl-N-(2-methanimidoyl-3-methyliminopropyl)pyrimidin-4-amine
CID 123405346
6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine
CID 114117271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine (CID 80935562) is 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine is CCc1nc(Cl)cc(NCC(C)CC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
The InChIKey is HPGYVJOUKULQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-4-8(3)7-13-11-6-9(12)14-10(5-2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine has a molecular weight of 227.74 g/mol, XLogP of 3.15, 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-(2-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80935562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).