4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one

C17H23N3O — CID 135978448

IUPAC4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(c1ccccc1)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C17H23N3O/c1-4-17(5-2,13-9-7-6-8-10-13)16-19-14(12-18-3)11-15(21)20-16/h6-11,18H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyRWNVPPVZMDMXJJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.60
Rot. Bonds6

About 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one

4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one (PubChem CID 135978448) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one
PubChem CID135978448
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one
SMILESCCC(CC)(c1ccccc1)c1nc(CNC)cc(=O)[nH]1
InChIInChI=1S/C17H23N3O/c1-4-17(5-2,13-9-7-6-8-10-13)16-19-14(12-18-3)11-15(21)20-16/h6-11,18H,4-5,12H2,1-3H3,(H,19,20,21)
InChIKeyRWNVPPVZMDMXJJ-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one (CID 135978448) is 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one is CCC(CC)(c1ccccc1)c1nc(CNC)cc(=O)[nH]1.
What is the InChIKey of 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is RWNVPPVZMDMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-17(5-2,13-9-7-6-8-10-13)16-19-14(12-18-3)11-15(21)20-16/h6-11,18H,4-5,12H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one?
4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 285.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).