2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine

C13H18N6S — CID 80962431

IUPAC2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nnc(C)n2C)nc(C2CC2)n1
InChIInChI=1S/C13H18N6S/c1-4-14-10-7-11(16-12(15-10)9-5-6-9)20-13-18-17-8(2)19(13)3/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyWVXWECWHPFROLA-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.37
Rot. Bonds5

About 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine (PubChem CID 80962431) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
PubChem CID80962431
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nnc(C)n2C)nc(C2CC2)n1
InChIInChI=1S/C13H18N6S/c1-4-14-10-7-11(16-12(15-10)9-5-6-9)20-13-18-17-8(2)19(13)3/h7,9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyWVXWECWHPFROLA-UHFFFAOYSA-N
XLogP2.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
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-[(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
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-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine (CID 80962431) is 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2nnc(C)n2C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The InChIKey is WVXWECWHPFROLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-4-14-10-7-11(16-12(15-10)9-5-6-9)20-13-18-17-8(2)19(13)3/h7,9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine has a molecular weight of 290.40 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80962431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).