6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine

C22H21ClN4 — CID 166762154

IUPAC6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESClc1cccc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)c1
InChIInChI=1S/C22H21ClN4/c23-16-6-4-5-14(11-16)15-9-10-19-18(12-15)20-21(24-13-25-22(20)27-19)26-17-7-2-1-3-8-17/h4-6,9-13,17H,1-3,7-8H2,(H2,24,25,26,27)
InChIKeyDYWCUDKXCRDDKW-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.18
Rot. Bonds3

About 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine

6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine (PubChem CID 166762154) has the molecular formula C22H21ClN4 and a molecular weight of 376.89 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine
PubChem CID166762154
Molecular FormulaC22H21ClN4
Molecular Weight376.89 g/mol
Exact Mass376.15
IUPAC Name6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine
SMILESClc1cccc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)c1
InChIInChI=1S/C22H21ClN4/c23-16-6-4-5-14(11-16)15-9-10-19-18(12-15)20-21(24-13-25-22(20)27-19)26-17-7-2-1-3-8-17/h4-6,9-13,17H,1-3,7-8H2,(H2,24,25,26,27)
InChIKeyDYWCUDKXCRDDKW-UHFFFAOYSA-N
XLogP6.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-cyclopentyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 15886985
4-N,4-N-diethyl-1-N-[6-(4-fluorophenyl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
CID 163856403
6-chloro-N-cyclohexylquinazolin-4-amine
CID 13231193
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
4-N-cycloheptyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149860
4-N-cyclohexyl-6-(4-phenylphenyl)quinazoline-2,4-diamine
CID 69014350
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
4-N-cyclopentyl-6-N-(2,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19149855
N-(4-morpholin-4-ylcyclohexyl)-6-(1-piperidin-4-ylpyrazol-4-yl)-9H-pyrimido[4,5-b]indol-4-amine
CID 147649468
3-[(6-chloro-9H-pyrimido[4,5-b]indol-4-yl)amino]-N-methylbenzenesulfonamide
CID 52912194
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
4-N-cyclohexyl-6-[3-(dimethylamino)phenyl]quinazoline-2,4-diamine
CID 69015335

Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine?
The IUPAC name of 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine (CID 166762154) is 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine is Clc1cccc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine?
The InChIKey is DYWCUDKXCRDDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4/c23-16-6-4-5-14(11-16)15-9-10-19-18(12-15)20-21(24-13-25-22(20)27-19)26-17-7-2-1-3-8-17/h4-6,9-13,17H,1-3,7-8H2,(H2,24,25,26,27).
What are the key properties of 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine?
6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine has a molecular weight of 376.89 g/mol, XLogP of 6.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-N-cyclohexyl-9H-pyrimido[4,5-b]indol-4-amine is sourced from PubChem (CID 166762154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).