2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine

C15H19N5S — CID 80995160

IUPAC2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2cnccn2)c1C
InChIInChI=1S/C15H19N5S/c1-3-6-18-13-10(2)15(20-14(19-13)11-4-5-11)21-12-9-16-7-8-17-12/h7-9,11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyLPUCPXJNXLBMMO-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.43
Rot. Bonds6

About 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine

2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80995160) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80995160
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2cnccn2)c1C
InChIInChI=1S/C15H19N5S/c1-3-6-18-13-10(2)15(20-14(19-13)11-4-5-11)21-12-9-16-7-8-17-12/h7-9,11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyLPUCPXJNXLBMMO-UHFFFAOYSA-N
XLogP3.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.43
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-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80990773
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990970
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80995476
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80994859
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
2-cyclopropyl-5-methyl-6-(2-methylimidazol-1-yl)-N-propylpyrimidin-4-amine
CID 80992611
5-fluoro-N-propyl-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
CID 80889363

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine (CID 80995160) is 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(Sc2cnccn2)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is LPUCPXJNXLBMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-6-18-13-10(2)15(20-14(19-13)11-4-5-11)21-12-9-16-7-8-17-12/h7-9,11H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 301.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80995160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).