2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one

C32H44N4O — CID 168919360

IUPAC2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one
SMILESC=C(NC(CC(C)(C)C)c1cc(CCCCC2CC(=O)NC(N)=N2)ccc1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C32H44N4O/c1-21-13-14-23(9-6-7-12-27-19-30(37)36-31(33)35-27)17-28(21)29(20-32(3,4)5)34-22(2)25-16-15-24-10-8-11-26(24)18-25/h13-18,27,29,34H,2,6-12,19-20H2,1,3-5H3,(H3,33,35,36,37)
InChIKeySDVCYSONQRPGKO-UHFFFAOYSA-N
MW500.73 g/mol
LogP6.14
Rot. Bonds10

About 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 168919360) has the molecular formula C32H44N4O and a molecular weight of 500.73 g/mol. Its IUPAC name is 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID168919360
Molecular FormulaC32H44N4O
Molecular Weight500.73 g/mol
Exact Mass500.35
IUPAC Name2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one
SMILESC=C(NC(CC(C)(C)C)c1cc(CCCCC2CC(=O)NC(N)=N2)ccc1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C32H44N4O/c1-21-13-14-23(9-6-7-12-27-19-30(37)36-31(33)35-27)17-28(21)29(20-32(3,4)5)34-22(2)25-16-15-24-10-8-11-26(24)18-25/h13-18,27,29,34H,2,6-12,19-20H2,1,3-5H3,(H3,33,35,36,37)
InChIKeySDVCYSONQRPGKO-UHFFFAOYSA-N
XLogP6.14
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.73
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide;ethane;methanol
CID 168919178
N-[6-[4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)butyl]-1,1-dimethyl-3,4-dihydroisochromen-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 168919381
N-[1-[5-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-2-methylphenyl]-3-methylbutyl]-1,1-difluoro-2,3-dihydroindene-5-carboxamide;ethane
CID 168919287
N-[6-[2-[2-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)ethyl]cyclopropyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 168919235
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-[7-[(Z)-4-(2-amino-6-oxo-4,5-dihydro-1H-pyrimidin-4-yl)but-1-enyl]-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-yl]-7-fluoro-2,3-dihydro-1H-indene-5-carboxamide
CID 168918979
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
6-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylhexan-3-ol
CID 64515618
1-(5-bromo-2-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803352
N-(2-methylpropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 115409893
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one (CID 168919360) is 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one is C=C(NC(CC(C)(C)C)c1cc(CCCCC2CC(=O)NC(N)=N2)ccc1C)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is SDVCYSONQRPGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O/c1-21-13-14-23(9-6-7-12-27-19-30(37)36-31(33)35-27)17-28(21)29(20-32(3,4)5)34-22(2)25-16-15-24-10-8-11-26(24)18-25/h13-18,27,29,34H,2,6-12,19-20H2,1,3-5H3,(H3,33,35,36,37).
What are the key properties of 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 500.73 g/mol, XLogP of 6.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[3-[1-[1-(2,3-dihydro-1H-inden-5-yl)ethenylamino]-3,3-dimethylbutyl]-4-methylphenyl]butyl]-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 168919360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).