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

C15H17ClN4S — CID 80962862

IUPAC6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4S/c1-2-7-17-12-9-13(20-14(19-12)10-5-6-10)21-15-11(16)4-3-8-18-15/h3-4,8-10H,2,5-7H2,1H3,(H,17,19,20)
InChIKeyJHYRPPKLGCMBJT-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.38
Rot. Bonds6

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

6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine (PubChem CID 80962862) has the molecular formula C15H17ClN4S and a molecular weight of 320.85 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
PubChem CID80962862
Molecular FormulaC15H17ClN4S
Molecular Weight320.85 g/mol
Exact Mass320.09
IUPAC Name6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1
InChIInChI=1S/C15H17ClN4S/c1-2-7-17-12-9-13(20-14(19-12)10-5-6-10)21-15-11(16)4-3-8-18-15/h3-4,8-10H,2,5-7H2,1H3,(H,17,19,20)
InChIKeyJHYRPPKLGCMBJT-UHFFFAOYSA-N
XLogP4.38
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.38
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
2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80963167
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
4-N-(2-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955833
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945
2-cyclopropyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine (CID 80962862) is 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2ncccc2Cl)nc(C2CC2)n1.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine?
The InChIKey is JHYRPPKLGCMBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4S/c1-2-7-17-12-9-13(20-14(19-12)10-5-6-10)21-15-11(16)4-3-8-18-15/h3-4,8-10H,2,5-7H2,1H3,(H,17,19,20).
What are the key properties of 6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine?
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine has a molecular weight of 320.85 g/mol, XLogP of 4.38, 6 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80962862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).