6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine

C11H16ClN3O2S — CID 103880067

IUPAC6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O2S/c1-2-18(16,17)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyBUDYCFBBCGGQEJ-UHFFFAOYSA-N
MW289.79 g/mol
LogP1.85
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine (PubChem CID 103880067) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
PubChem CID103880067
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O2S/c1-2-18(16,17)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15)
InChIKeyBUDYCFBBCGGQEJ-UHFFFAOYSA-N
XLogP1.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80951605
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 86814390
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
5-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]pentanamide
CID 114162665
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine (CID 103880067) is 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine is CCS(=O)(=O)CCNc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is BUDYCFBBCGGQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-2-18(16,17)6-5-13-10-7-9(12)14-11(15-10)8-3-4-8/h7-8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 289.79 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 103880067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).