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

C15H19N3S2 — CID 80990970

IUPAC2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2cccs2)c1C
InChIInChI=1S/C15H19N3S2/c1-3-8-16-13-10(2)15(20-12-5-4-9-19-12)18-14(17-13)11-6-7-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18)
InChIKeyDWFKOAMJCIZZLV-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.70
Rot. Bonds6

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

2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80990970) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
PubChem CID80990970
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C2CC2)nc(Sc2cccs2)c1C
InChIInChI=1S/C15H19N3S2/c1-3-8-16-13-10(2)15(20-12-5-4-9-19-12)18-14(17-13)11-6-7-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18)
InChIKeyDWFKOAMJCIZZLV-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
2-cyclopropyl-5-methyl-6-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 80990773
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
N,2-diethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80990087
2-cyclopropyl-5-methyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984435
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
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
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80989884
2-cyclopropyl-N-ethyl-5-methyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80990645
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
2-cyclopropyl-6-(3-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80977815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine (CID 80990970) is 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is CCCNc1nc(C2CC2)nc(Sc2cccs2)c1C.
What is the InChIKey of 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is DWFKOAMJCIZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-3-8-16-13-10(2)15(20-12-5-4-9-19-12)18-14(17-13)11-6-7-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine?
2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 305.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-N-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80990970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).