2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one

C9H9N3OS — CID 117260612

IUPAC2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cnc(N)[nH]c2=O)s1
InChIInChI=1S/C9H9N3OS/c1-5-2-3-7(14-5)6-4-11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyKGEVFPVYUTWQRR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.39
Rot. Bonds1

About 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one

2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 117260612) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID117260612
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cnc(N)[nH]c2=O)s1
InChIInChI=1S/C9H9N3OS/c1-5-2-3-7(14-5)6-4-11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13)
InChIKeyKGEVFPVYUTWQRR-UHFFFAOYSA-N
XLogP1.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 57283672
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
CID 117260877
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
CID 117260610
5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4963645
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
CID 133054025
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
2-(5-methylthiophen-2-yl)aniline
CID 13413493
2-amino-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055604
2-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 22380532

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 117260612) is 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2cnc(N)[nH]c2=O)s1.
What is the InChIKey of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KGEVFPVYUTWQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-2-3-7(14-5)6-4-11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 207.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 117260612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).