2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

C11H15N3OS — CID 80964045

IUPAC2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SC2COC2)nc(C2CC2)n1
InChIInChI=1S/C11H15N3OS/c1-12-9-4-10(16-8-5-15-6-8)14-11(13-9)7-2-3-7/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMBNWFBYFWZIFDC-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.89
Rot. Bonds4

About 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80964045) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
PubChem CID80964045
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCNc1cc(SC2COC2)nc(C2CC2)n1
InChIInChI=1S/C11H15N3OS/c1-12-9-4-10(16-8-5-15-6-8)14-11(13-9)7-2-3-7/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14)
InChIKeyMBNWFBYFWZIFDC-UHFFFAOYSA-N
XLogP1.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-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-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162
N-methyl-2-methylsulfanyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80891476
2-cyclopropyl-6-ethylsulfanyl-N-methylpyrimidin-4-amine
CID 80962555
2-cyclopropyl-N-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80963401
6-cyclopentylsulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80888990
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80995871
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947316
2-cyclopropyl-6-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80956706
methyl 2-[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107778793
N-methyl-2-(oxan-4-yl)-6-propylpyrimidin-4-amine
CID 62385584

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (CID 80964045) is 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is CNc1cc(SC2COC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is MBNWFBYFWZIFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-12-9-4-10(16-8-5-15-6-8)14-11(13-9)7-2-3-7/h4,7-8H,2-3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80964045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).