5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one

C13H17N3O2S — CID 136974958

IUPAC5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
SMILESCCCC(Nc1nc[nH]c(=O)c1OC)c1cccs1
InChIInChI=1S/C13H17N3O2S/c1-3-5-9(10-6-4-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h4,6-9H,3,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyAUAFWWPKMJQNSV-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.79
Rot. Bonds6

About 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one

5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136974958) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
PubChem CID136974958
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one
SMILESCCCC(Nc1nc[nH]c(=O)c1OC)c1cccs1
InChIInChI=1S/C13H17N3O2S/c1-3-5-9(10-6-4-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h4,6-9H,3,5H2,1-2H3,(H2,14,15,16,17)
InChIKeyAUAFWWPKMJQNSV-UHFFFAOYSA-N
XLogP2.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one with MolForge

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Related Compounds

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136972316
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
6-methoxy-5-methyl-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 66326238
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
CID 80758897
5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974927
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
5-bromo-4-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 106997660
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 137016272
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one (CID 136974958) is 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one is CCCC(Nc1nc[nH]c(=O)c1OC)c1cccs1.
What is the InChIKey of 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is AUAFWWPKMJQNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-5-9(10-6-4-7-19-10)16-12-11(18-2)13(17)15-8-14-12/h4,6-9H,3,5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one?
5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 279.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(1-thiophen-2-ylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136974958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).