2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one

C9H8N4O — CID 117260877

IUPAC2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccncc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-12-5-7(8(14)13-9)6-1-3-11-4-2-6/h1-5H,(H3,10,12,13,14)
InChIKeyDTVUXDZTMGLVPB-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

About 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one

2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 117260877) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID117260877
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one
SMILESNc1ncc(-c2ccncc2)c(=O)[nH]1
InChIInChI=1S/C9H8N4O/c10-9-12-5-7(8(14)13-9)6-1-3-11-4-2-6/h1-5H,(H3,10,12,13,14)
InChIKeyDTVUXDZTMGLVPB-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
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-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
CID 117260612
2-amino-5-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 117260759
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
CID 117260610
2,5-diamino-1H-pyrimidin-6-one;dihydrochloride
CID 133054025
2-amino-5-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 117260743
3,5-dipyridin-4-ylpyridin-4-amine
CID 46315281
5-(4-bromophenyl)-2-methyl-1H-pyrimidin-6-one
CID 117260805
5-(4-chlorophenyl)-6-pyridin-4-yl-1H-pyrimidin-2-one
CID 58772850
2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
CID 162327470
3,5-dipyridin-4-yl-1H-pyridin-2-one
CID 46316548
3-bromo-6-ethyl-5-pyridin-4-yl-1H-pyridin-2-one
CID 14978532

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one (CID 117260877) is 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one is Nc1ncc(-c2ccncc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is DTVUXDZTMGLVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-9-12-5-7(8(14)13-9)6-1-3-11-4-2-6/h1-5H,(H3,10,12,13,14).
What are the key properties of 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one?
2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 117260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).