4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine

C18H14N6 — CID 19709380

IUPAC4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESc1ccc(Nc2ncc3ncnc(Nc4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N6/c1-3-7-13(8-4-1)22-17-16-15(20-12-21-17)11-19-18(24-16)23-14-9-5-2-6-10-14/h1-12H,(H,19,23,24)(H,20,21,22)
InChIKeyCKXWTKJOJXJCGJ-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.91
Rot. Bonds4

About 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine

4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 19709380) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID19709380
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESc1ccc(Nc2ncc3ncnc(Nc4ccccc4)c3n2)cc1
InChIInChI=1S/C18H14N6/c1-3-7-13(8-4-1)22-17-16-15(20-12-21-17)11-19-18(24-16)23-14-9-5-2-6-10-14/h1-12H,(H,19,23,24)(H,20,21,22)
InChIKeyCKXWTKJOJXJCGJ-UHFFFAOYSA-N
XLogP3.91
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 5328346
N,6-diphenylpyrido[3,2-d]pyrimidin-4-amine
CID 150209313
CID 172854912
CID 172854912
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295223
6-N-tert-butyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 15295551
4-N-(3-chlorophenyl)-6-N-propan-2-ylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 54064351
4-N-(4-chlorophenyl)-6-N-cyclopropylpyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709325
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
N-phenylpyrimido[5,4-b][1,8]naphthyridin-4-amine
CID 21137166
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
6-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709314

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 19709380) is 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine is c1ccc(Nc2ncc3ncnc(Nc4ccccc4)c3n2)cc1.
What is the InChIKey of 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is CKXWTKJOJXJCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-3-7-13(8-4-1)22-17-16-15(20-12-21-17)11-19-18(24-16)23-14-9-5-2-6-10-14/h1-12H,(H,19,23,24)(H,20,21,22).
What are the key properties of 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 314.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diphenylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 19709380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).