2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine

C24H27N5O — CID 129076348

IUPAC2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nccc(NC3CCC(c4ccncc4)CC3)n1)C2
InChIInChI=1S/C24H27N5O/c1-30-22-7-4-19-15-29(16-20(19)14-22)24-26-13-10-23(28-24)27-21-5-2-17(3-6-21)18-8-11-25-12-9-18/h4,7-14,17,21H,2-3,5-6,15-16H2,1H3,(H,26,27,28)
InChIKeyDIPOOLWAUXGJEG-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.54
Rot. Bonds5

About 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine

2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine (PubChem CID 129076348) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine
PubChem CID129076348
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine
SMILESCOc1ccc2c(c1)CN(c1nccc(NC3CCC(c4ccncc4)CC3)n1)C2
InChIInChI=1S/C24H27N5O/c1-30-22-7-4-19-15-29(16-20(19)14-22)24-26-13-10-23(28-24)27-21-5-2-17(3-6-21)18-8-11-25-12-9-18/h4,7-14,17,21H,2-3,5-6,15-16H2,1H3,(H,26,27,28)
InChIKeyDIPOOLWAUXGJEG-UHFFFAOYSA-N
XLogP4.54
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclohexyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884822
N-[4-(1-azabicyclo[4.1.0]hepta-2,4-dien-3-yl)phenyl]-2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-amine
CID 144828629
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
N-[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-1H-isoindol-5-amine
CID 147636008
2-(4-ethylpyrimidin-2-yl)-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 118447852
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 112894394
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine (CID 129076348) is 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine is COc1ccc2c(c1)CN(c1nccc(NC3CCC(c4ccncc4)CC3)n1)C2.
What is the InChIKey of 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine?
The InChIKey is DIPOOLWAUXGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-30-22-7-4-19-15-29(16-20(19)14-22)24-26-13-10-23(28-24)27-21-5-2-17(3-6-21)18-8-11-25-12-9-18/h4,7-14,17,21H,2-3,5-6,15-16H2,1H3,(H,26,27,28).
What are the key properties of 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine?
2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine has a molecular weight of 401.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-pyridin-4-ylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 129076348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).