4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

C18H13N5O2 — CID 135418267

IUPAC4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESNc1c2nc(-c3ccccc3)[nH]c(=O)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C18H13N5O2/c19-15-13-14(21-18(25)23(15)12-9-5-2-6-10-12)17(24)22-16(20-13)11-7-3-1-4-8-11/h1-10H,19H2,(H,20,22,24)
InChIKeyNMCWHNRQQFULQG-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.72
Rot. Bonds2

About 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione

4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (PubChem CID 135418267) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.

Molecular Properties

Compound Name4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
PubChem CID135418267
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione
SMILESNc1c2nc(-c3ccccc3)[nH]c(=O)c2nc(=O)n1-c1ccccc1
InChIInChI=1S/C18H13N5O2/c19-15-13-14(21-18(25)23(15)12-9-5-2-6-10-12)17(24)22-16(20-13)11-7-3-1-4-8-11/h1-10H,19H2,(H,20,22,24)
InChIKeyNMCWHNRQQFULQG-UHFFFAOYSA-N
XLogP1.72
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The IUPAC name of 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione (CID 135418267) is 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione.
What is the SMILES notation for 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The canonical SMILES for 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is Nc1c2nc(-c3ccccc3)[nH]c(=O)c2nc(=O)n1-c1ccccc1.
What is the InChIKey of 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
The InChIKey is NMCWHNRQQFULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-15-13-14(21-18(25)23(15)12-9-5-2-6-10-12)17(24)22-16(20-13)11-7-3-1-4-8-11/h1-10H,19H2,(H,20,22,24).
What are the key properties of 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione?
4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione has a molecular weight of 331.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,6-diphenyl-7H-pyrimido[5,4-d]pyrimidine-2,8-dione is sourced from PubChem (CID 135418267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).