2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one

C15H21N3O2 — CID 143044715

IUPAC2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCOc1ccc(N)cc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H21N3O2/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19)
InChIKeyGBCDMSYFSQKPSJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds4

About 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one

2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 143044715) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID143044715
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCOc1ccc(N)cc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H21N3O2/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19)
InChIKeyGBCDMSYFSQKPSJ-UHFFFAOYSA-N
XLogP1.96
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044714
4,5-dimethyl-2-(2-propoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one;ethane
CID 143044780
2-(5-amino-2-methylphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;butane;ethane
CID 143044697
4-propoxybenzene-1,3-diamine
CID 69462115
2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 139672525
4-propoxy-3-[4-(trifluoromethyl)phenyl]aniline
CID 143655981
4-ethoxy-3-(5-methyl-1H-pyrazol-3-yl)aniline
CID 166276038
4-(3,4-dipropoxyphenyl)aniline
CID 61026286
5-[5-amino-2-(2-cyclopropylethoxy)phenyl]-4-ethoxy-1-methylpyridin-2-one
CID 90027992
5-amino-2-(4-propoxyphenoxy)benzoic acid
CID 60987362
3-(3-aminophenyl)-4-ethoxyaniline
CID 68787828
4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 135967800

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one (CID 143044715) is 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one is CCCOc1ccc(N)cc1C1=NC(C)C(C)C(=O)N1.
What is the InChIKey of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is GBCDMSYFSQKPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one?
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 275.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 143044715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).