2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol

C17H20N4O2 — CID 145461874

IUPAC2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol
SMILESCC1CC(=O)N(C)C(N)=N1.Oc1cccc(-c2ccccn2)c1
InChIInChI=1S/C11H9NO.C6H11N3O/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-4-3-5(10)9(2)6(7)8-4/h1-8,13H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyUEEBFVAKXURHTQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.01
Rot. Bonds1

About 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol

2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol (PubChem CID 145461874) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol.

Molecular Properties

Compound Name2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol
PubChem CID145461874
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol
SMILESCC1CC(=O)N(C)C(N)=N1.Oc1cccc(-c2ccccn2)c1
InChIInChI=1S/C11H9NO.C6H11N3O/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-4-3-5(10)9(2)6(7)8-4/h1-8,13H;4H,3H2,1-2H3,(H2,7,8)
InChIKeyUEEBFVAKXURHTQ-UHFFFAOYSA-N
XLogP2.01
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol?
The IUPAC name of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol (CID 145461874) is 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol.
What is the SMILES notation for 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol?
The canonical SMILES for 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol is CC1CC(=O)N(C)C(N)=N1.Oc1cccc(-c2ccccn2)c1.
What is the InChIKey of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol?
The InChIKey is UEEBFVAKXURHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C6H11N3O/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-4-3-5(10)9(2)6(7)8-4/h1-8,13H;4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol?
2-amino-1,4-dimethyl-4,5-dihydropyrimidin-6-one;3-pyridin-2-ylphenol has a molecular weight of 312.37 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 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;3-pyridin-2-ylphenol is sourced from PubChem (CID 145461874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).