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

C12H17N3OS — CID 80965162

IUPAC2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1cc(SC2COC2)nc(C2CC2)n1
InChIInChI=1S/C12H17N3OS/c1-2-13-10-5-11(17-9-6-16-7-9)15-12(14-10)8-3-4-8/h5,8-9H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyUKMGJYXFMWWZHX-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.28
Rot. Bonds5

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

2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (PubChem CID 80965162) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
PubChem CID80965162
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
SMILESCCNc1cc(SC2COC2)nc(C2CC2)n1
InChIInChI=1S/C12H17N3OS/c1-2-13-10-5-11(17-9-6-16-7-9)15-12(14-10)8-3-4-8/h5,8-9H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeyUKMGJYXFMWWZHX-UHFFFAOYSA-N
XLogP2.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-methyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80964045
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
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-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80962431
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine (CID 80965162) is 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is CCNc1cc(SC2COC2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is UKMGJYXFMWWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-2-13-10-5-11(17-9-6-16-7-9)15-12(14-10)8-3-4-8/h5,8-9H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 80965162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).