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

C13H22ClN3S — CID 114117271

IUPAC6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC(CC)(CC)SC)n1
InChIInChI=1S/C13H22ClN3S/c1-5-11-16-10(14)8-12(17-11)15-9-13(6-2,7-3)18-4/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyIIPLXUVVUAIMNO-UHFFFAOYSA-N
MW287.86 g/mol
LogP4.03
Rot. Bonds7

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

6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine (PubChem CID 114117271) has the molecular formula C13H22ClN3S and a molecular weight of 287.86 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine
PubChem CID114117271
Molecular FormulaC13H22ClN3S
Molecular Weight287.86 g/mol
Exact Mass287.12
IUPAC Name6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCC(CC)(CC)SC)n1
InChIInChI=1S/C13H22ClN3S/c1-5-11-16-10(14)8-12(17-11)15-9-13(6-2,7-3)18-4/h8H,5-7,9H2,1-4H3,(H,15,16,17)
InChIKeyIIPLXUVVUAIMNO-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
N-benzyl-6-chloro-2-ethylpyrimidin-4-amine
CID 80935618
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
1-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154937
3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103736647
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
6-chloro-2-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80938818
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine (CID 114117271) is 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine is CCc1nc(Cl)cc(NCC(CC)(CC)SC)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine?
The InChIKey is IIPLXUVVUAIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3S/c1-5-11-16-10(14)8-12(17-11)15-9-13(6-2,7-3)18-4/h8H,5-7,9H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine has a molecular weight of 287.86 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 114117271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).