6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

C22H21N5O3 — CID 53333355

IUPAC6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCOc1ccccc1CNc1ncc2c(=O)n(-c3ccc(C)cc3C)c(=O)[nH]c2n1
InChIInChI=1S/C22H21N5O3/c1-13-8-9-17(14(2)10-13)27-20(28)16-12-24-21(25-19(16)26-22(27)29)23-11-15-6-4-5-7-18(15)30-3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,26,29)
InChIKeyJFYNSSDPJXMXEZ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.71
Rot. Bonds5

About 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (PubChem CID 53333355) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
PubChem CID53333355
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
SMILESCOc1ccccc1CNc1ncc2c(=O)n(-c3ccc(C)cc3C)c(=O)[nH]c2n1
InChIInChI=1S/C22H21N5O3/c1-13-8-9-17(14(2)10-13)27-20(28)16-12-24-21(25-19(16)26-22(27)29)23-11-15-6-4-5-7-18(15)30-3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,26,29)
InChIKeyJFYNSSDPJXMXEZ-UHFFFAOYSA-N
XLogP2.71
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione with MolForge

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Related Compounds

6-(2,3-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333259
2-[(2-fluorophenyl)methylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333319
6-(2,4-dimethylphenyl)-2-(2-thiophen-2-ylethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333364
2-[(3,5-difluorophenyl)methylamino]-6-(2-methoxyphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333322
2-[2-(4-methoxyphenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 159980239
2-[(2-ethoxyphenyl)methylamino]-6-[(2-fluorophenyl)methyl]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 71794160
6-(3-fluorophenyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 53333304
2-[2-(3-hydroxyphenyl)ethylamino]-6-(3-methylphenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 158152535
N-[(2-methoxyphenyl)methyl]quinazolin-2-amine
CID 114788826
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
2-[(2-methoxyphenyl)methylamino]-4-methyl-1H-pyrimidin-6-one
CID 135816304
4-N-(2,4-dimethylphenyl)-2-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918341

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The IUPAC name of 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione (CID 53333355) is 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is COc1ccccc1CNc1ncc2c(=O)n(-c3ccc(C)cc3C)c(=O)[nH]c2n1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
The InChIKey is JFYNSSDPJXMXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-13-8-9-17(14(2)10-13)27-20(28)16-12-24-21(25-19(16)26-22(27)29)23-11-15-6-4-5-7-18(15)30-3/h4-10,12H,11H2,1-3H3,(H2,23,24,25,26,29).
What are the key properties of 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione?
6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione has a molecular weight of 403.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methylamino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione is sourced from PubChem (CID 53333355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).