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

C12H13BrN4S — CID 80891150

IUPAC6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncccc2Br)ncn1
InChIInChI=1S/C12H13BrN4S/c1-2-5-14-10-7-11(17-8-16-10)18-12-9(13)4-3-6-15-12/h3-4,6-8H,2,5H2,1H3,(H,14,16,17)
InChIKeyCAEQOMYVCKFQEK-UHFFFAOYSA-N
MW325.24 g/mol
LogP3.61
Rot. Bonds5

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

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80891150) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80891150
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ncccc2Br)ncn1
InChIInChI=1S/C12H13BrN4S/c1-2-5-14-10-7-11(17-8-16-10)18-12-9(13)4-3-6-15-12/h3-4,6-8H,2,5H2,1H3,(H,14,16,17)
InChIKeyCAEQOMYVCKFQEK-UHFFFAOYSA-N
XLogP3.61
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3-bromo-2-pyridinyl)sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80890882
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-methylpyridine;hydrochloride
CID 163333008
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 80892797
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethylpyrazin-2-amine
CID 80890787
[6-[(3-bromo-2-pyridinyl)sulfanyl]-2-tert-butylpyrimidin-4-yl]hydrazine
CID 80980403
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
6-[(2-bromophenyl)methoxy]-N-propylpyrimidin-4-amine
CID 82825468
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882787
4-N-[(2-bromophenyl)methyl]-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794398

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80891150) is 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2ncccc2Br)ncn1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is CAEQOMYVCKFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c1-2-5-14-10-7-11(17-8-16-10)18-12-9(13)4-3-6-15-12/h3-4,6-8H,2,5H2,1H3,(H,14,16,17).
What are the key properties of 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 325.24 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80891150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).