2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one

C12H17N5O2S — CID 80608116

IUPAC2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2c(OC)nc(C)cc2=O)s1
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-11-16-15-9(20-11)7-17-10(18)6-8(2)14-12(17)19-3/h6H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyJYPXJNUUAJKDSP-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.28
Rot. Bonds6

About 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (PubChem CID 80608116) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
PubChem CID80608116
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one
SMILESCCCNc1nnc(Cn2c(OC)nc(C)cc2=O)s1
InChIInChI=1S/C12H17N5O2S/c1-4-5-13-11-16-15-9(20-11)7-17-10(18)6-8(2)14-12(17)19-3/h6H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyJYPXJNUUAJKDSP-UHFFFAOYSA-N
XLogP1.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one (CID 80608116) is 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is CCCNc1nnc(Cn2c(OC)nc(C)cc2=O)s1.
What is the InChIKey of 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
The InChIKey is JYPXJNUUAJKDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-5-13-11-16-15-9(20-11)7-17-10(18)6-8(2)14-12(17)19-3/h6H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one has a molecular weight of 295.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 80608116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).