4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine

C17H14N4 — CID 25218205

IUPAC4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H14N4/c18-17-20-14-10-11-6-4-5-9-13(11)15(14)16(21-17)19-12-7-2-1-3-8-12/h1-9H,10H2,(H3,18,19,20,21)
InChIKeyBFUFGJUGGVINNF-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.37
Rot. Bonds2

About 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine

4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine (PubChem CID 25218205) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine
PubChem CID25218205
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccccc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H14N4/c18-17-20-14-10-11-6-4-5-9-13(11)15(14)16(21-17)19-12-7-2-1-3-8-12/h1-9H,10H2,(H3,18,19,20,21)
InChIKeyBFUFGJUGGVINNF-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine (CID 25218205) is 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccccc3)n1)-c1ccccc1C2.
What is the InChIKey of 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The InChIKey is BFUFGJUGGVINNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c18-17-20-14-10-11-6-4-5-9-13(11)15(14)16(21-17)19-12-7-2-1-3-8-12/h1-9H,10H2,(H3,18,19,20,21).
What are the key properties of 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-9H-indeno[2,1-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25218205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).