2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine

C34H32N8O4 — CID 15629175

IUPAC2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3nc(Nc4ccc(OC)cc4)nc(Nc4ccc(OC)cc4)c3n2)cc1
InChIInChI=1S/C34H32N8O4/c1-43-25-13-5-21(6-14-25)35-31-29-30(40-33(41-31)37-23-9-17-27(45-3)18-10-23)32(36-22-7-15-26(44-2)16-8-22)42-34(39-29)38-24-11-19-28(46-4)20-12-24/h5-20H,1-4H3,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKeyPDGCWFJETTYCET-UHFFFAOYSA-N
MW616.68 g/mol
LogP7.43
Rot. Bonds12

About 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine

2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine (PubChem CID 15629175) has the molecular formula C34H32N8O4 and a molecular weight of 616.68 g/mol. Its IUPAC name is 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine.

Molecular Properties

Compound Name2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
PubChem CID15629175
Molecular FormulaC34H32N8O4
Molecular Weight616.68 g/mol
Exact Mass616.25
IUPAC Name2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine
SMILESCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3nc(Nc4ccc(OC)cc4)nc(Nc4ccc(OC)cc4)c3n2)cc1
InChIInChI=1S/C34H32N8O4/c1-43-25-13-5-21(6-14-25)35-31-29-30(40-33(41-31)37-23-9-17-27(45-3)18-10-23)32(36-22-7-15-26(44-2)16-8-22)42-34(39-29)38-24-11-19-28(46-4)20-12-24/h5-20H,1-4H3,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKeyPDGCWFJETTYCET-UHFFFAOYSA-N
XLogP7.43
TPSA136.60 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500616.68
LogP ≤ 57.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
2-N-(4-methoxyphenyl)-4-N-methylquinazoline-2,4-diamine
CID 50947631
2,4-bis(4-methoxyanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 17198365
4-[[4-(4-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]phenol
CID 4312871
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
N-(4-methoxyphenyl)-1,2,4-triazin-3-amine
CID 130015647
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
2-N-[4-(2-methoxyethoxy)phenyl]-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine;hydrochloride
CID 67725035
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine?
The IUPAC name of 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine (CID 15629175) is 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine.
What is the SMILES notation for 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine?
The canonical SMILES for 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine is COc1ccc(Nc2nc(Nc3ccc(OC)cc3)c3nc(Nc4ccc(OC)cc4)nc(Nc4ccc(OC)cc4)c3n2)cc1.
What is the InChIKey of 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine?
The InChIKey is PDGCWFJETTYCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N8O4/c1-43-25-13-5-21(6-14-25)35-31-29-30(40-33(41-31)37-23-9-17-27(45-3)18-10-23)32(36-22-7-15-26(44-2)16-8-22)42-34(39-29)38-24-11-19-28(46-4)20-12-24/h5-20H,1-4H3,(H2,35,37,40,41)(H2,36,38,39,42).
What are the key properties of 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine?
2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine has a molecular weight of 616.68 g/mol, XLogP of 7.43, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N,8-N-tetrakis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine is sourced from PubChem (CID 15629175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).