2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine

C14H13Cl2N3S — CID 80990216

IUPAC2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3S/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-6-9(15)4-5-10(11)16/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyWPEVCRPICKWTRG-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.70
Rot. Bonds3

About 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine (PubChem CID 80990216) has the molecular formula C14H13Cl2N3S and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
PubChem CID80990216
Molecular FormulaC14H13Cl2N3S
Molecular Weight326.25 g/mol
Exact Mass325.02
IUPAC Name2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2N3S/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-6-9(15)4-5-10(11)16/h4-6,8H,2-3H2,1H3,(H2,17,18,19)
InChIKeyWPEVCRPICKWTRG-UHFFFAOYSA-N
XLogP4.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
2-cyclopropyl-6-(3,4-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 80975439
6-chloro-2-cyclopropylquinazolin-4-amine
CID 106583780
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
CID 80978191
2-cyclopropyl-6-ethylsulfanyl-5-methylpyrimidin-4-amine
CID 80991192
[6-(4-chlorophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001101
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80995871
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991079
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
6-(2-chlorophenyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80975338
6-(4-chloro-3-methylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80989341

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine (CID 80990216) is 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
The InChIKey is WPEVCRPICKWTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3S/c1-7-12(17)18-13(8-2-3-8)19-14(7)20-11-6-9(15)4-5-10(11)16/h4-6,8H,2-3H2,1H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine has a molecular weight of 326.25 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80990216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).