2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

C35H51N5O3 — CID 163222463

IUPAC2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESC=C(NC1CC(C)(C)Oc2ccccc21)c1ccc2c(c1)CCC(CCCCCCN)O2.CCC1(C)CC(=O)NC(N)=N1
InChIInChI=1S/C28H38N2O2.C7H13N3O/c1-20(30-25-19-28(2,3)32-27-12-8-7-11-24(25)27)21-14-16-26-22(18-21)13-15-23(31-26)10-6-4-5-9-17-29;1-3-7(2)4-5(11)9-6(8)10-7/h7-8,11-12,14,16,18,23,25,30H,1,4-6,9-10,13,15,17,19,29H2,2-3H3;3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyUCBWGOQIFABEOK-UHFFFAOYSA-N
MW589.83 g/mol
LogP6.14
Rot. Bonds10

About 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine

2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 163222463) has the molecular formula C35H51N5O3 and a molecular weight of 589.83 g/mol. Its IUPAC name is 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID163222463
Molecular FormulaC35H51N5O3
Molecular Weight589.83 g/mol
Exact Mass589.40
IUPAC Name2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESC=C(NC1CC(C)(C)Oc2ccccc21)c1ccc2c(c1)CCC(CCCCCCN)O2.CCC1(C)CC(=O)NC(N)=N1
InChIInChI=1S/C28H38N2O2.C7H13N3O/c1-20(30-25-19-28(2,3)32-27-12-8-7-11-24(25)27)21-14-16-26-22(18-21)13-15-23(31-26)10-6-4-5-9-17-29;1-3-7(2)4-5(11)9-6(8)10-7/h7-8,11-12,14,16,18,23,25,30H,1,4-6,9-10,13,15,17,19,29H2,2-3H3;3-4H2,1-2H3,(H3,8,9,10,11)
InChIKeyUCBWGOQIFABEOK-UHFFFAOYSA-N
XLogP6.14
TPSA123.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.83
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine with MolForge

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Related Compounds

4-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)butanamide;hydrochloride
CID 119331773
3-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 166705626
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
2-[(2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl)-(5-fluoro-3-pyridinyl)methyl]-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)cyclopropane-1-carboxamide
CID 171442209
trans-(1R,2R)-2-[[(4R)-2-amino-4-ethyl-4-methyl-6-oxo-5H-pyrimidin-1-yl]-(5-fluoro-3-pyridinyl)methyl]-N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 172818611
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
cis-(1S,2S)-2-[(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)methyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]cyclopropane-1-carboxamide
CID 171442024
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-oxo-3H-pyrido[3,4-d]pyrimidine-6-carboxamide
CID 136533274
5-[1-(2-amino-4,4-diethyl-6-oxo-5H-pyrimidin-1-yl)-3-methoxypropyl]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyridine-3-carboxamide
CID 166705582
(2R)-2-amino-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 119331766
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 119331752

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 163222463) is 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is C=C(NC1CC(C)(C)Oc2ccccc21)c1ccc2c(c1)CCC(CCCCCCN)O2.CCC1(C)CC(=O)NC(N)=N1.
What is the InChIKey of 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is UCBWGOQIFABEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O2.C7H13N3O/c1-20(30-25-19-28(2,3)32-27-12-8-7-11-24(25)27)21-14-16-26-22(18-21)13-15-23(31-26)10-6-4-5-9-17-29;1-3-7(2)4-5(11)9-6(8)10-7/h7-8,11-12,14,16,18,23,25,30H,1,4-6,9-10,13,15,17,19,29H2,2-3H3;3-4H2,1-2H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine?
2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 589.83 g/mol, XLogP of 6.14, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-4-methyl-1,5-dihydropyrimidin-6-one;N-[1-[2-(6-aminohexyl)-3,4-dihydro-2H-chromen-6-yl]ethenyl]-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 163222463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).