6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine

C13H12N6 — CID 5328333

IUPAC6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1ncc2ncnc(Nc3ccccc3)c2n1
InChIInChI=1S/C13H12N6/c1-14-13-15-7-10-11(19-13)12(17-8-16-10)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,19)(H,16,17,18)
InChIKeyHSTFDYRLOHVGKW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.21
Rot. Bonds3

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

6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328333) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328333
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCNc1ncc2ncnc(Nc3ccccc3)c2n1
InChIInChI=1S/C13H12N6/c1-14-13-15-7-10-11(19-13)12(17-8-16-10)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,19)(H,16,17,18)
InChIKeyHSTFDYRLOHVGKW-UHFFFAOYSA-N
XLogP2.21
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328333) is 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine is CNc1ncc2ncnc(Nc3ccccc3)c2n1.
What is the InChIKey of 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is HSTFDYRLOHVGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c1-14-13-15-7-10-11(19-13)12(17-8-16-10)18-9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,19)(H,16,17,18).
What are the key properties of 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 252.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-phenylpyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).