4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one

C12H14N4O3 — CID 152771788

IUPAC4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(OC)c1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-18-6-4-3-5-7(19-2)8(6)11-15-10(14)9(13)12(17)16-11/h3-5H,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyGIZSMSBFOITXJE-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.62
Rot. Bonds3

About 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one

4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 152771788) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID152771788
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1cccc(OC)c1-c1nc(N)c(N)c(=O)[nH]1
InChIInChI=1S/C12H14N4O3/c1-18-6-4-3-5-7(19-2)8(6)11-15-10(14)9(13)12(17)16-11/h3-5H,13H2,1-2H3,(H3,14,15,16,17)
InChIKeyGIZSMSBFOITXJE-UHFFFAOYSA-N
XLogP0.62
TPSA116.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one (CID 152771788) is 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one is COc1cccc(OC)c1-c1nc(N)c(N)c(=O)[nH]1.
What is the InChIKey of 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is GIZSMSBFOITXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-18-6-4-3-5-7(19-2)8(6)11-15-10(14)9(13)12(17)16-11/h3-5H,13H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one?
4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 262.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diamino-2-(2,6-dimethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 152771788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).