6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine

C13H15ClN4S — CID 80946945

IUPAC6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ncccc2Cl)n1
InChIInChI=1S/C13H15ClN4S/c1-3-5-10-17-11(15-2)8-12(18-10)19-13-9(14)6-4-7-16-13/h4,6-8H,3,5H2,1-2H3,(H,15,17,18)
InChIKeySXDYJUGOVFWBRL-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.67
Rot. Bonds5

About 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine

6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80946945) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80946945
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(Sc2ncccc2Cl)n1
InChIInChI=1S/C13H15ClN4S/c1-3-5-10-17-11(15-2)8-12(18-10)19-13-9(14)6-4-7-16-13/h4,6-8H,3,5H2,1-2H3,(H,15,17,18)
InChIKeySXDYJUGOVFWBRL-UHFFFAOYSA-N
XLogP3.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
N-methyl-6-(4-propan-2-ylphenyl)sulfanyl-2-propylpyrimidin-4-amine
CID 80942803
N-methyl-2-propyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80947049
6-(4-fluorophenyl)sulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80949638
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
4-chloro-6-[(3-chloro-2-pyridinyl)sulfanyl]-2-(methoxymethyl)pyrimidine
CID 113401115
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80890882
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
4-N-(2,3-dichlorophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945819
N-methyl-2-propyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80949864
4-methyl-3-[6-(methylamino)-2-propylpyrimidin-4-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 80946770
N-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107765749

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine (CID 80946945) is 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(Sc2ncccc2Cl)n1.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is SXDYJUGOVFWBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-3-5-10-17-11(15-2)8-12(18-10)19-13-9(14)6-4-7-16-13/h4,6-8H,3,5H2,1-2H3,(H,15,17,18).
What are the key properties of 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine?
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 294.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80946945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).