5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one

C10H17N3O2S — CID 136975819

IUPAC5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)CSC)nc[nH]c1=O
InChIInChI=1S/C10H17N3O2S/c1-7(5-16-3)4-11-9-8(15-2)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyASHKCVNQPQTIEK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.19
Rot. Bonds6

About 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one

5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136975819) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136975819
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one
SMILESCOc1c(NCC(C)CSC)nc[nH]c1=O
InChIInChI=1S/C10H17N3O2S/c1-7(5-16-3)4-11-9-8(15-2)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyASHKCVNQPQTIEK-UHFFFAOYSA-N
XLogP1.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one (CID 136975819) is 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one is COc1c(NCC(C)CSC)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is ASHKCVNQPQTIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(5-16-3)4-11-9-8(15-2)10(14)13-6-12-9/h6-7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one?
5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 243.33 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(2-methyl-3-methylsulfanylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).