2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C14H17N5S — CID 80963439

IUPAC2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ncc(C)cn2)nc(C2CC2)n1
InChIInChI=1S/C14H17N5S/c1-3-15-11-6-12(19-13(18-11)10-4-5-10)20-14-16-7-9(2)8-17-14/h6-8,10H,3-5H2,1-2H3,(H,15,18,19)
InChIKeyUWNOYRDLUNBJBL-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.04
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80963439) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80963439
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ncc(C)cn2)nc(C2CC2)n1
InChIInChI=1S/C14H17N5S/c1-3-15-11-6-12(19-13(18-11)10-4-5-10)20-14-16-7-9(2)8-17-14/h6-8,10H,3-5H2,1-2H3,(H,15,18,19)
InChIKeyUWNOYRDLUNBJBL-UHFFFAOYSA-N
XLogP3.04
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-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

2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80962431
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80963167
(2-cyclopropyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80979379

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80963439) is 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is CCNc1cc(Sc2ncc(C)cn2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is UWNOYRDLUNBJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-3-15-11-6-12(19-13(18-11)10-4-5-10)20-14-16-7-9(2)8-17-14/h6-8,10H,3-5H2,1-2H3,(H,15,18,19).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80963439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).