N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

C26H35N5O — CID 156852615

IUPACN-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCN1Cc2nc(N3CCOC(C4CC4)C3)nc(Nc3ccc(C4CCCCC4)cc3)c2C1
InChIInChI=1S/C26H35N5O/c1-30-15-22-23(16-30)28-26(31-13-14-32-24(17-31)20-7-8-20)29-25(22)27-21-11-9-19(10-12-21)18-5-3-2-4-6-18/h9-12,18,20,24H,2-8,13-17H2,1H3,(H,27,28,29)
InChIKeyLUTHQIKPSXDAIF-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.83
Rot. Bonds5

About N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine

N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 156852615) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID156852615
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC NameN-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
SMILESCN1Cc2nc(N3CCOC(C4CC4)C3)nc(Nc3ccc(C4CCCCC4)cc3)c2C1
InChIInChI=1S/C26H35N5O/c1-30-15-22-23(16-30)28-26(31-13-14-32-24(17-31)20-7-8-20)29-25(22)27-21-11-9-19(10-12-21)18-5-3-2-4-6-18/h9-12,18,20,24H,2-8,13-17H2,1H3,(H,27,28,29)
InChIKeyLUTHQIKPSXDAIF-UHFFFAOYSA-N
XLogP4.83
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine (CID 156852615) is N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is CN1Cc2nc(N3CCOC(C4CC4)C3)nc(Nc3ccc(C4CCCCC4)cc3)c2C1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LUTHQIKPSXDAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O/c1-30-15-22-23(16-30)28-26(31-13-14-32-24(17-31)20-7-8-20)29-25(22)27-21-11-9-19(10-12-21)18-5-3-2-4-6-18/h9-12,18,20,24H,2-8,13-17H2,1H3,(H,27,28,29).
What are the key properties of N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine?
N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 433.60 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(2-cyclopropylmorpholin-4-yl)-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 156852615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).