6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine

C14H15ClN4S — CID 80964386

IUPAC6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C14H15ClN4S/c1-2-16-11-8-12(19-13(18-11)9-5-6-9)20-14-10(15)4-3-7-17-14/h3-4,7-9H,2,5-6H2,1H3,(H,16,18,19)
InChIKeyYROKKQUEXAXGFH-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.99
Rot. Bonds5

About 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80964386) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80964386
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C14H15ClN4S/c1-2-16-11-8-12(19-13(18-11)9-5-6-9)20-14-10(15)4-3-7-17-14/h3-4,7-9H,2,5-6H2,1H3,(H,16,18,19)
InChIKeyYROKKQUEXAXGFH-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
4-N-(2-chloro-6-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80958496
2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80962431
6-(2-chlorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965500

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80964386) is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is YROKKQUEXAXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-2-16-11-8-12(19-13(18-11)9-5-6-9)20-14-10(15)4-3-7-17-14/h3-4,7-9H,2,5-6H2,1H3,(H,16,18,19).
What are the key properties of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 306.82 g/mol, XLogP of 3.99, 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]-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80964386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).