2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

C12H18ClN3S — CID 80975272

IUPAC2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1c(Cl)nc(C2CC2)nc1SCCN(C)C
InChIInChI=1S/C12H18ClN3S/c1-8-10(13)14-11(9-4-5-9)15-12(8)17-7-6-16(2)3/h9H,4-7H2,1-3H3
InChIKeyKEVYWSVULFLVOT-UHFFFAOYSA-N
MW271.82 g/mol
LogP2.97
Rot. Bonds5

About 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine

2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (PubChem CID 80975272) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
PubChem CID80975272
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine
SMILESCc1c(Cl)nc(C2CC2)nc1SCCN(C)C
InChIInChI=1S/C12H18ClN3S/c1-8-10(13)14-11(9-4-5-9)15-12(8)17-7-6-16(2)3/h9H,4-7H2,1-3H3
InChIKeyKEVYWSVULFLVOT-UHFFFAOYSA-N
XLogP2.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-ethyl-6-methylsulfanylpyrimidine-5-carbonitrile
CID 44375517
4-Chloro-2-cyclopropyl-5-methyl-6-(methylthio)pyrimidine
CID 80977486
6-chloro-N,2,5-trimethyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 63728069
4-Chloro-5-methyl-6-(2-methylpropylsulfanyl)pyrimidine
CID 63728391
4-Chloro-2,5-dimethyl-6-(2-methylpropylsulfanyl)pyrimidine
CID 63728392
4-Butan-2-ylsulfanyl-6-chloro-5-methylpyrimidine
CID 63728551
4-Butan-2-ylsulfanyl-6-chloro-2,5-dimethylpyrimidine
CID 63728552
4-Chloro-6-ethylsulfanyl-5-methylpyrimidine
CID 63728556
4-Chloro-6-ethylsulfanyl-2,5-dimethylpyrimidine
CID 63728557
4-Tert-butylsulfanyl-6-chloro-2,5-dimethylpyrimidine
CID 63728562
4-Chloro-5-methyl-6-propylsulfanylpyrimidine
CID 63728713
4-Chloro-2,5-dimethyl-6-propylsulfanylpyrimidine
CID 63728714

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine (CID 80975272) is 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is Cc1c(Cl)nc(C2CC2)nc1SCCN(C)C.
What is the InChIKey of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
The InChIKey is KEVYWSVULFLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c1-8-10(13)14-11(9-4-5-9)15-12(8)17-7-6-16(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine?
2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine has a molecular weight of 271.82 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 80975272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).