1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one

C16H21N3O — CID 63206431

IUPAC1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one
SMILESCCCc1ccc(C(N)Cn2cc(C)cnc2=O)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-13-5-7-14(8-6-13)15(17)11-19-10-12(2)9-18-16(19)20/h5-10,15H,3-4,11,17H2,1-2H3
InChIKeyFEJVHGTXCMIKAO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.20
Rot. Bonds5

About 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one

1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one (PubChem CID 63206431) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one
PubChem CID63206431
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one
SMILESCCCc1ccc(C(N)Cn2cc(C)cnc2=O)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-13-5-7-14(8-6-13)15(17)11-19-10-12(2)9-18-16(19)20/h5-10,15H,3-4,11,17H2,1-2H3
InChIKeyFEJVHGTXCMIKAO-UHFFFAOYSA-N
XLogP2.20
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-one
CID 63205792
1-(3-amino-2-phenylpropyl)-5-methylpyrimidin-2-one
CID 64538454
1-[2-(bromomethyl)-3,3-dimethylbutyl]-5-methylpyrimidin-2-one
CID 65014651
1-[(4-iodophenyl)methyl]-5-methylpyrimidin-2-one
CID 65489922
1-[[6-(ethylamino)-3-pyridinyl]methyl]-5-methylpyrimidin-2-one
CID 55162438
1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
CID 16795429
1-[2-amino-2-(4-methylphenyl)ethyl]-3-propylimidazol-2-one
CID 80581654
(2-methyl-1,3-thiazol-5-yl)-(4-propylphenyl)methanamine
CID 114031639
2-morpholin-4-yl-1-(4-propylphenyl)ethanamine
CID 16792951
2-(4,5-dimethylimidazol-1-yl)-1-(4-ethylphenyl)ethanamine
CID 62350551
(3R)-3-amino-3-(4-propylphenyl)propanoic acid
CID 95997919
1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
CID 16787547

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one (CID 63206431) is 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one is CCCc1ccc(C(N)Cn2cc(C)cnc2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one?
The InChIKey is FEJVHGTXCMIKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-13-5-7-14(8-6-13)15(17)11-19-10-12(2)9-18-16(19)20/h5-10,15H,3-4,11,17H2,1-2H3.
What are the key properties of 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one?
1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-propylphenyl)ethyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).