2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one

C12H15N5OS — CID 80654238

IUPAC2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1cc(C)nc(CSc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H15N5OS/c1-3-13-9-6-8(2)15-10(16-9)7-19-12-14-5-4-11(18)17-12/h4-6H,3,7H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeySSRJXAWJIALNCU-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.59
Rot. Bonds5

About 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one

2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 80654238) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID80654238
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1cc(C)nc(CSc2nccc(=O)[nH]2)n1
InChIInChI=1S/C12H15N5OS/c1-3-13-9-6-8(2)15-10(16-9)7-19-12-14-5-4-11(18)17-12/h4-6H,3,7H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeySSRJXAWJIALNCU-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(ethylamino)-2-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 79239990
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654807
2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62466779
2-[6-(ethylamino)pyrazin-2-yl]sulfanyl-1H-pyrimidin-6-one
CID 80892748
N-ethyl-6-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65129176
2-[[4-(ethylamino)-3-nitrophenyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62190004
2-[2-(ethylamino)ethylsulfanyl]-1H-pyrimidin-6-one
CID 61385767
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
2-[2-(ethylamino)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 80893473
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
N-ethyl-6-methyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654720

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 80654238) is 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one is CCNc1cc(C)nc(CSc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is SSRJXAWJIALNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-3-13-9-6-8(2)15-10(16-9)7-19-12-14-5-4-11(18)17-12/h4-6H,3,7H2,1-2H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 277.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 80654238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).