6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine

C12H13ClN4S — CID 80891436

IUPAC6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Sc1ncccc1Cl
InChIInChI=1S/C12H13ClN4S/c1-2-4-8-10(14)16-7-17-11(8)18-12-9(13)5-3-6-15-12/h3,5-7H,2,4H2,1H3,(H2,14,16,17)
InChIKeyGYHBRDSNYLUGAF-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.21
Rot. Bonds4

About 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine

6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine (PubChem CID 80891436) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
PubChem CID80891436
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Sc1ncccc1Cl
InChIInChI=1S/C12H13ClN4S/c1-2-4-8-10(14)16-7-17-11(8)18-12-9(13)5-3-6-15-12/h3,5-7H,2,4H2,1H3,(H2,14,16,17)
InChIKeyGYHBRDSNYLUGAF-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine
CID 80891496
6-ethylsulfanyl-5-propylpyrimidin-4-amine
CID 80887417
6-benzylsulfanyl-5-propylpyrimidin-4-amine
CID 80887991
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
[6-(2-chlorophenyl)sulfanyl-5-propylpyrimidin-4-yl]hydrazine
CID 80921884
4-[(3-chloro-2-pyridinyl)sulfanyl]quinazolin-7-amine
CID 65336335
5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
CID 66320532
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
CID 64631081
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
CID 61370219
5-propyl-6-quinolin-8-yloxypyrimidin-4-amine
CID 80874684

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine (CID 80891436) is 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Sc1ncccc1Cl.
What is the InChIKey of 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine?
The InChIKey is GYHBRDSNYLUGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-2-4-8-10(14)16-7-17-11(8)18-12-9(13)5-3-6-15-12/h3,5-7H,2,4H2,1H3,(H2,14,16,17).
What are the key properties of 6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine?
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propylpyrimidin-4-amine has a molecular weight of 280.78 g/mol, XLogP of 3.21, 4 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]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80891436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).