6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine

C22H20BrN5O3 — CID 155341296

IUPAC6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cnc(-c4cc(Br)ccc4OC)nc23)c(OC)c1
InChIInChI=1S/C22H20BrN5O3/c1-29-15-6-4-13(19(9-15)31-3)10-24-22-20-17(26-12-27-22)11-25-21(28-20)16-8-14(23)5-7-18(16)30-2/h4-9,11-12H,10H2,1-3H3,(H,24,26,27)
InChIKeyQUVIXGGTCGQLJT-UHFFFAOYSA-N
MW482.34 g/mol
LogP4.49
Rot. Bonds7

About 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine

6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine (PubChem CID 155341296) has the molecular formula C22H20BrN5O3 and a molecular weight of 482.34 g/mol. Its IUPAC name is 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine
PubChem CID155341296
Molecular FormulaC22H20BrN5O3
Molecular Weight482.34 g/mol
Exact Mass481.07
IUPAC Name6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2ncnc3cnc(-c4cc(Br)ccc4OC)nc23)c(OC)c1
InChIInChI=1S/C22H20BrN5O3/c1-29-15-6-4-13(19(9-15)31-3)10-24-22-20-17(26-12-27-22)11-25-21(28-20)16-8-14(23)5-7-18(16)30-2/h4-9,11-12H,10H2,1-3H3,(H,24,26,27)
InChIKeyQUVIXGGTCGQLJT-UHFFFAOYSA-N
XLogP4.49
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 104923949
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80906951
4-bromo-2-N-[(2,4-dimethoxyphenyl)methyl]benzene-1,2-diamine
CID 65342577
2,5-dibromo-N-[(2,4-dimethoxyphenyl)methyl]aniline
CID 43736641
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 155166582
2-bromo-3-fluoro-4-methoxypyridine;N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxypyridin-2-amine
CID 167698309
N-[(2,4-dimethoxyphenyl)methyl]-7-ethynylthieno[3,2-d]pyrimidin-4-amine
CID 165113737
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine (CID 155341296) is 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine is COc1ccc(CNc2ncnc3cnc(-c4cc(Br)ccc4OC)nc23)c(OC)c1.
What is the InChIKey of 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine?
The InChIKey is QUVIXGGTCGQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O3/c1-29-15-6-4-13(19(9-15)31-3)10-24-22-20-17(26-12-27-22)11-25-21(28-20)16-8-14(23)5-7-18(16)30-2/h4-9,11-12H,10H2,1-3H3,(H,24,26,27).
What are the key properties of 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine?
6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine has a molecular weight of 482.34 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-methoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155341296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).