(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide

C34H30N6O3 — CID 10008199

IUPAC(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide
SMILESCOc1ccc(N2Cc3cnc(N(C(=O)[C@@H](N)Cc4ccccc4)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C34H30N6O3/c1-43-29-19-17-26(18-20-29)38-23-25-22-36-33(37-31(25)39(34(38)42)27-13-7-3-8-14-27)40(28-15-9-4-10-16-28)32(41)30(35)21-24-11-5-2-6-12-24/h2-20,22,30H,21,23,35H2,1H3/t30-/m0/s1
InChIKeyOGBNNYXBGOKDPT-PMERELPUSA-N
MW570.65 g/mol
LogP6.00
Rot. Bonds8

About (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide

(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide (PubChem CID 10008199) has the molecular formula C34H30N6O3 and a molecular weight of 570.65 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide
PubChem CID10008199
Molecular FormulaC34H30N6O3
Molecular Weight570.65 g/mol
Exact Mass570.24
IUPAC Name(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide
SMILESCOc1ccc(N2Cc3cnc(N(C(=O)[C@@H](N)Cc4ccccc4)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C34H30N6O3/c1-43-29-19-17-26(18-20-29)38-23-25-22-36-33(37-31(25)39(34(38)42)27-13-7-3-8-14-27)40(28-15-9-4-10-16-28)32(41)30(35)21-24-11-5-2-6-12-24/h2-20,22,30H,21,23,35H2,1H3/t30-/m0/s1
InChIKeyOGBNNYXBGOKDPT-PMERELPUSA-N
XLogP6.00
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N-phenylcarbamate
CID 69189263
prop-1-en-2-yloxymethyl N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N-phenylcarbamate
CID 89294182
acetic acid;(2S)-2-amino-N-[8-[5-(4-methoxyphenyl)-6-oxocyclohexa-2,4-dien-1-yl]-6,7-dihydro-5H-pyrimido[4,5-d]pyrimidin-2-yl]-4-methylsulfanyl-N-phenylbutanamide
CID 162324549
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
3-(4-methoxyphenyl)-1-phenyl-2-sulfanylideneimidazolidin-4-one
CID 682116
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
3-(4-ethoxyphenyl)-1-phenyl-4-sulfanylideneimidazolidin-2-one
CID 11392810
N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 25470678
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
7-(4-methoxyanilino)-3-(4-methoxyphenyl)-1-methyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 163679428
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
benzyl 2-amino-3-[4-[5-[(4-methoxyphenyl)methyl]-1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl]phenyl]propanoate
CID 67139054

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide (CID 10008199) is (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide is COc1ccc(N2Cc3cnc(N(C(=O)[C@@H](N)Cc4ccccc4)c4ccccc4)nc3N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide?
The InChIKey is OGBNNYXBGOKDPT-PMERELPUSA-N. The full InChI is InChI=1S/C34H30N6O3/c1-43-29-19-17-26(18-20-29)38-23-25-22-36-33(37-31(25)39(34(38)42)27-13-7-3-8-14-27)40(28-15-9-4-10-16-28)32(41)30(35)21-24-11-5-2-6-12-24/h2-20,22,30H,21,23,35H2,1H3/t30-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide?
(2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide has a molecular weight of 570.65 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-N,3-diphenylpropanamide is sourced from PubChem (CID 10008199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).