2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine

C15H18N4OS — CID 145459434

IUPAC2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine
SMILESCC1CC(=O)N(C)C(N)=N1.c1csc(-c2ccncc2)c1
InChIInChI=1S/C9H7NS.C6H11N3O/c1-2-9(11-7-1)8-3-5-10-6-4-8;1-4-3-5(10)9(2)6(7)8-4/h1-7H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyDENFLKXEAUCNIV-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.36
Rot. Bonds1

About 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine

2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine (PubChem CID 145459434) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine
PubChem CID145459434
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine
SMILESCC1CC(=O)N(C)C(N)=N1.c1csc(-c2ccncc2)c1
InChIInChI=1S/C9H7NS.C6H11N3O/c1-2-9(11-7-1)8-3-5-10-6-4-8;1-4-3-5(10)9(2)6(7)8-4/h1-7H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyDENFLKXEAUCNIV-UHFFFAOYSA-N
XLogP2.36
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol
CID 145461874
1-methyl-4-thiophen-2-yl-3-thiophen-3-ylpyrazol-5-amine
CID 62501208
2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 18893841
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
CID 22173067
7-pyridin-4-yl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 22629670
2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one
CID 90042577
4-methyl-1-(2-thiophen-2-ylethyl)piperidine-2,6-dione
CID 13455297
3-pyridin-4-yl-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 62500884
4-pyridin-4-yl-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 80525813
(6S)-4-propyl-1-(pyridine-4-carbonyl)-6-[(4-thiophen-2-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587068
3-amino-1-methyl-6-thiophen-2-ylpyridin-2-one
CID 82467248
5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine?
The IUPAC name of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine (CID 145459434) is 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine.
What is the SMILES notation for 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine?
The canonical SMILES for 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine is CC1CC(=O)N(C)C(N)=N1.c1csc(-c2ccncc2)c1.
What is the InChIKey of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine?
The InChIKey is DENFLKXEAUCNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.C6H11N3O/c1-2-9(11-7-1)8-3-5-10-6-4-8;1-4-3-5(10)9(2)6(7)8-4/h1-7H;4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine?
2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine has a molecular weight of 302.40 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;4-thiophen-2-ylpyridine is sourced from PubChem (CID 145459434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).