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

C17H11ClN2 — CID 139310265

IUPAC2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
SMILESClc1nc2c(c(-c3ccccc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H11ClN2/c18-17-19-14-10-12-8-4-5-9-13(12)15(14)16(20-17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyUCZJRIVSOAOORD-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.37
Rot. Bonds1

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

2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine (PubChem CID 139310265) has the molecular formula C17H11ClN2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
PubChem CID139310265
Molecular FormulaC17H11ClN2
Molecular Weight278.74 g/mol
Exact Mass278.06
IUPAC Name2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
SMILESClc1nc2c(c(-c3ccccc3)n1)-c1ccccc1C2
InChIInChI=1S/C17H11ClN2/c18-17-19-14-10-12-8-4-5-9-13(12)15(14)16(20-17)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyUCZJRIVSOAOORD-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
CID 86098015
(Z)-N-benzyl-2-[4-(2-chloro-9H-indeno[2,1-d]pyrimidin-4-yl)phenyl]-N'-methylidene-3-phenylprop-2-ene-1,3-diimine;ethene;(2Z,4Z)-hexa-2,4-diene
CID 144969178
2-methoxy-4-phenyl-9H-indeno[2,1-b]pyridine
CID 135035975
4-(4-phenyl-9H-indeno[2,1-d]pyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122469719
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
3-chloro-2-phenyl-1H-indene
CID 173084550
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
8-chloro-1-phenyl-5,6-dihydrobenzo[f]quinazolin-3-amine
CID 69169199
2-chloro-4-phenyl-7,8-dihydroquinazoline
CID 142568227
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262
2-methyl-6-phenyl-7H-indeno[2,1-c]quinoline
CID 12624418
2,4-diphenyl-5,10-dihydrobenzo[g]quinazoline
CID 101394728

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine?
The IUPAC name of 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine (CID 139310265) is 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine?
The canonical SMILES for 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine is Clc1nc2c(c(-c3ccccc3)n1)-c1ccccc1C2.
What is the InChIKey of 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine?
The InChIKey is UCZJRIVSOAOORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2/c18-17-19-14-10-12-8-4-5-9-13(12)15(14)16(20-17)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine?
2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine has a molecular weight of 278.74 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine is sourced from PubChem (CID 139310265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).