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

C21H39N3O2 — CID 143044714

IUPAC2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
SMILESCC.CC.CC.CCCOc1ccc(N)cc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H21N3O2.3C2H6/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14;3*1-2/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19);3*1-2H3
InChIKeyNFWOAWOTZRHFJE-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.04
Rot. Bonds4

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

2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane (PubChem CID 143044714) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane.

Molecular Properties

Compound Name2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
PubChem CID143044714
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC Name2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane
SMILESCC.CC.CC.CCCOc1ccc(N)cc1C1=NC(C)C(C)C(=O)N1
InChIInChI=1S/C15H21N3O2.3C2H6/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14;3*1-2/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19);3*1-2H3
InChIKeyNFWOAWOTZRHFJE-UHFFFAOYSA-N
XLogP5.04
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.04
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
CID 143044715
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;ethane?
The IUPAC name of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane (CID 143044714) is 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane.
What is the SMILES notation for 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane?
The canonical SMILES for 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane is CC.CC.CC.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;ethane?
The InChIKey is NFWOAWOTZRHFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.3C2H6/c1-4-7-20-13-6-5-11(16)8-12(13)14-17-10(3)9(2)15(19)18-14;3*1-2/h5-6,8-10H,4,7,16H2,1-3H3,(H,17,18,19);3*1-2H3.
What are the key properties of 2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane?
2-(5-amino-2-propoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one;ethane has a molecular weight of 365.56 g/mol, XLogP of 5.04, 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;ethane is sourced from PubChem (CID 143044714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).