2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine

C13H15N5S — CID 80962873

IUPAC2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C13H15N5S/c1-2-15-10-7-11(18-13(17-10)9-3-4-9)19-12-8-14-5-6-16-12/h5-9H,2-4H2,1H3,(H,15,17,18)
InChIKeyFDZUMNMXNMPFCF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.73
Rot. Bonds5

About 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine

2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80962873) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80962873
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC Name2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C13H15N5S/c1-2-15-10-7-11(18-13(17-10)9-3-4-9)19-12-8-14-5-6-16-12/h5-9H,2-4H2,1H3,(H,15,17,18)
InChIKeyFDZUMNMXNMPFCF-UHFFFAOYSA-N
XLogP2.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80963167
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
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-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
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
2-cyclopropyl-N-ethyl-6-(oxetan-3-ylsulfanyl)pyrimidin-4-amine
CID 80965162

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (CID 80962873) is 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine is CCNc1cc(Sc2cnccn2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is FDZUMNMXNMPFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-2-15-10-7-11(18-13(17-10)9-3-4-9)19-12-8-14-5-6-16-12/h5-9H,2-4H2,1H3,(H,15,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 273.36 g/mol, XLogP of 2.73, 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-pyrazin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80962873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).