4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one

C15H19N3O2 — CID 136960459

IUPAC4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1ccccc1)c1nc(N)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-9(2)11-13(16)17-14(18-15(11)19)12(20-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H3,16,17,18,19)
InChIKeyCVYOXJQKISSJCB-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds4

About 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one

4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136960459) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136960459
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOC(c1ccccc1)c1nc(N)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H19N3O2/c1-9(2)11-13(16)17-14(18-15(11)19)12(20-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H3,16,17,18,19)
InChIKeyCVYOXJQKISSJCB-UHFFFAOYSA-N
XLogP2.21
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methoxy(phenyl)methyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136963638
4-tert-butyl-5-iodo-2-[methoxy(phenyl)methyl]-1H-pyrimidin-6-one
CID 136963947
4-amino-2-anilino-5-propan-2-yl-1H-pyrimidin-6-one
CID 136951883
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 62098401
5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 116776857
[2-[methoxy(phenyl)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721312
4-fluoro-2-[methoxy(phenyl)methyl]-1H-benzimidazole
CID 64724565
4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
CID 136883787
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574511
4-amino-2-(3-methoxypentan-3-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136960473
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235
5-bromo-6-(methoxymethyl)-2-[methoxy(phenyl)methyl]-1H-pyrimidine-4-thione
CID 106480528

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one (CID 136960459) is 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one is COC(c1ccccc1)c1nc(N)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is CVYOXJQKISSJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)11-13(16)17-14(18-15(11)19)12(20-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3,(H3,16,17,18,19).
What are the key properties of 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one?
4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).