2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C12H15N5OS — CID 80892987

IUPAC2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNc1cc(Sc2nccc(=O)[nH]2)nc(C)n1
InChIInChI=1S/C12H15N5OS/c1-3-5-13-9-7-11(16-8(2)15-9)19-12-14-6-4-10(18)17-12/h4,6-7H,3,5H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyGUYZPSLRSWJHTO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 80892987) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID80892987
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESCCCNc1cc(Sc2nccc(=O)[nH]2)nc(C)n1
InChIInChI=1S/C12H15N5OS/c1-3-5-13-9-7-11(16-8(2)15-9)19-12-14-6-4-10(18)17-12/h4,6-7H,3,5H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyGUYZPSLRSWJHTO-UHFFFAOYSA-N
XLogP1.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-methylsulfanylpyrimidine-2,4-diamine
CID 235450
2-[2-(ethylamino)-5-fluoropyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893235
2-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893629
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893871
2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106768602
2-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774920
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774921
2-[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106774923
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 106776521
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-methylacetamide
CID 114232312
2-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 114235110
2-(6-fluoropyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 115417278

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 80892987) is 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is CCCNc1cc(Sc2nccc(=O)[nH]2)nc(C)n1.
What is the InChIKey of 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is GUYZPSLRSWJHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-5-13-9-7-11(16-8(2)15-9)19-12-14-6-4-10(18)17-12/h4,6-7H,3,5H2,1-2H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 277.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 80892987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).