9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one

C20H25N5O2 — CID 155513430

IUPAC9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one
SMILESCOc1ccc(Nc2ncc3c(n2)n(C2CCCCC2)c(=O)n3C)c(C)c1
InChIInChI=1S/C20H25N5O2/c1-13-11-15(27-3)9-10-16(13)22-19-21-12-17-18(23-19)25(20(26)24(17)2)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyTZBGTNVOICBCLO-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.70
Rot. Bonds4

About 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one

9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one (PubChem CID 155513430) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one.

Molecular Properties

Compound Name9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one
PubChem CID155513430
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one
SMILESCOc1ccc(Nc2ncc3c(n2)n(C2CCCCC2)c(=O)n3C)c(C)c1
InChIInChI=1S/C20H25N5O2/c1-13-11-15(27-3)9-10-16(13)22-19-21-12-17-18(23-19)25(20(26)24(17)2)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,22,23)
InChIKeyTZBGTNVOICBCLO-UHFFFAOYSA-N
XLogP3.70
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-(2,3-Dihydro-1-(4-methoxy-2-methylphenyl)-6-methyl-1H-pyrrolo(2,3-b)pyridin-4-yl)-1H-pyrazol-3-yl)-2-imidazolidinone
CID 11223423
13-(Methylamino)-23,24,25-Trioxa-17,18,19,21-Tetrazatetracyclo-Tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-Hexan-15-One
CID 118704899
2-[(4-Methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
CID 145714280
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
(S)-4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 76282073
4-[Butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768330
7-benzyl-4-N-(4-methoxyphenyl)-4-N-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 137661858
17-(Methylamino)-8,14-dioxa-1,16,19,22-tetrazatetracyclo[13.5.2.13,7.018,21]tricosa-3(23),4,6,15,17,21-hexaen-20-one
CID 162650709
16-(Methylamino)-8,13-dioxa-1,15,18,21-tetrazatetracyclo[12.5.2.13,7.017,20]docosa-3(22),4,6,14,16,20-hexaen-19-one
CID 162666784
5-[(3-Methoxyphenyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10425842
12-Benzyl-4-(3-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11036467

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one?
The IUPAC name of 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one (CID 155513430) is 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one.
What is the SMILES notation for 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one?
The canonical SMILES for 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one is COc1ccc(Nc2ncc3c(n2)n(C2CCCCC2)c(=O)n3C)c(C)c1.
What is the InChIKey of 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one?
The InChIKey is TZBGTNVOICBCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-11-15(27-3)9-10-16(13)22-19-21-12-17-18(23-19)25(20(26)24(17)2)14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H,21,22,23).
What are the key properties of 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one?
9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one has a molecular weight of 367.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2-(4-methoxy-2-methylanilino)-7-methylpurin-8-one is sourced from PubChem (CID 155513430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).