6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

C16H18ClN3S — CID 80989884

IUPAC6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Sc2ccccc2Cl)c1C
InChIInChI=1S/C16H18ClN3S/c1-3-18-14-10(2)16(20-15(19-14)11-8-9-11)21-13-7-5-4-6-12(13)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyWQSFHEJQFDYVKW-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.90
Rot. Bonds5

About 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80989884) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80989884
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Sc2ccccc2Cl)c1C
InChIInChI=1S/C16H18ClN3S/c1-3-18-14-10(2)16(20-15(19-14)11-8-9-11)21-13-7-5-4-6-12(13)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,19,20)
InChIKeyWQSFHEJQFDYVKW-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80995476
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765745
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80975895
6-butylsulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80990882
2-cyclopropyl-N-ethyl-5-methyl-6-pentylsulfanylpyrimidin-4-amine
CID 107765323
(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80989884) is 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(Sc2ccccc2Cl)c1C.
What is the InChIKey of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is WQSFHEJQFDYVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c1-3-18-14-10(2)16(20-15(19-14)11-8-9-11)21-13-7-5-4-6-12(13)17/h4-7,11H,3,8-9H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 319.86 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80989884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).