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

C14H17N5S — CID 80963167

IUPAC2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C14H17N5S/c1-2-5-16-11-8-12(19-14(18-11)10-3-4-10)20-13-9-15-6-7-17-13/h6-10H,2-5H2,1H3,(H,16,18,19)
InChIKeyROMSIFTWDVIOCY-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.12
Rot. Bonds6

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

2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80963167) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80963167
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2cnccn2)nc(C2CC2)n1
InChIInChI=1S/C14H17N5S/c1-2-5-16-11-8-12(19-14(18-11)10-3-4-10)20-13-9-15-6-7-17-13/h6-10H,2-5H2,1H3,(H,16,18,19)
InChIKeyROMSIFTWDVIOCY-UHFFFAOYSA-N
XLogP3.12
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
2-cyclopropyl-6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80962854
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80962862
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
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-cyclopropyl-2-(4-methylcyclohexyl)-N-propylpyrimidin-4-amine
CID 63486835
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
2-cyclohexyl-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486677
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (CID 80963167) is 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine is CCCNc1cc(Sc2cnccn2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is ROMSIFTWDVIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-2-5-16-11-8-12(19-14(18-11)10-3-4-10)20-13-9-15-6-7-17-13/h6-10H,2-5H2,1H3,(H,16,18,19).
What are the key properties of 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80963167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).