2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

C11H15N3OS — CID 80995871

IUPAC2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1SC1COC1
InChIInChI=1S/C11H15N3OS/c1-6-9(12)13-10(7-2-3-7)14-11(6)16-8-4-15-5-8/h7-8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyWECKKKYDLBSMLU-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.74
Rot. Bonds3

About 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine

2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80995871) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
PubChem CID80995871
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1SC1COC1
InChIInChI=1S/C11H15N3OS/c1-6-9(12)13-10(7-2-3-7)14-11(6)16-8-4-15-5-8/h7-8H,2-5H2,1H3,(H2,12,13,14)
InChIKeyWECKKKYDLBSMLU-UHFFFAOYSA-N
XLogP1.74
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-ethylsulfanyl-5-methylpyrimidin-4-amine
CID 80991192
2-cyclopropyl-6-(2,5-dichlorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80990216
3-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80995079
2-(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 114235219
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80984918
2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80964045
2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
[5-methyl-6-(oxetan-3-ylsulfanyl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80995930
6-ethyl-5-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402391
5-methyl-2-(oxetan-3-ylsulfanyl)pyridin-3-amine
CID 79326602
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162
6-(1,3-benzothiazol-2-ylsulfanyl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80991079

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (CID 80995871) is 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1SC1COC1.
What is the InChIKey of 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is WECKKKYDLBSMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-6-9(12)13-10(7-2-3-7)14-11(6)16-8-4-15-5-8/h7-8H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 237.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80995871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).