4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

C17H13ClN4 — CID 25218337

IUPAC4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Cl)cc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H13ClN4/c18-11-5-7-12(8-6-11)20-16-15-13-4-2-1-3-10(13)9-14(15)21-17(19)22-16/h1-8H,9H2,(H3,19,20,21,22)
InChIKeyPUNTVOFUMRATBV-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.03
Rot. Bonds2

About 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (PubChem CID 25218337) has the molecular formula C17H13ClN4 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
PubChem CID25218337
Molecular FormulaC17H13ClN4
Molecular Weight308.77 g/mol
Exact Mass308.08
IUPAC Name4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Cl)cc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H13ClN4/c18-11-5-7-12(8-6-11)20-16-15-13-4-2-1-3-10(13)9-14(15)21-17(19)22-16/h1-8H,9H2,(H3,19,20,21,22)
InChIKeyPUNTVOFUMRATBV-UHFFFAOYSA-N
XLogP4.03
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (CID 25218337) is 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccc(Cl)cc3)n1)-c1ccccc1C2.
What is the InChIKey of 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The InChIKey is PUNTVOFUMRATBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4/c18-11-5-7-12(8-6-11)20-16-15-13-4-2-1-3-10(13)9-14(15)21-17(19)22-16/h1-8H,9H2,(H3,19,20,21,22).
What are the key properties of 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine has a molecular weight of 308.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25218337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).