6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine

C25H26N4O — CID 159000817

IUPAC6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCc1ccccc1C1=Cc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C1
InChIInChI=1S/C25H26N4O/c1-18-5-2-3-8-23(18)20-14-21-16-26-25(28-24(21)15-20)27-22-7-4-6-19(13-22)17-29-9-11-30-12-10-29/h2-8,13,15-16H,9-12,14,17H2,1H3,(H,26,27,28)
InChIKeyJRHWFPCSZXFYEX-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds5

About 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine

6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 159000817) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID159000817
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCc1ccccc1C1=Cc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C1
InChIInChI=1S/C25H26N4O/c1-18-5-2-3-8-23(18)20-14-21-16-26-25(28-24(21)15-20)27-22-7-4-6-19(13-22)17-29-9-11-30-12-10-29/h2-8,13,15-16H,9-12,14,17H2,1H3,(H,26,27,28)
InChIKeyJRHWFPCSZXFYEX-UHFFFAOYSA-N
XLogP4.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
CID 157444199
tert-butyl 2-[3-(morpholin-4-ylmethyl)anilino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 170324699
3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843
N-[2-[[2-[3-(morpholin-4-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081216
4-[[3-[[8-[4-[2-cyanoethyl(sulfinato)amino]phenyl]quinazolin-2-yl]amino]phenyl]methyl]morpholine
CID 174830349
4-[[4-(4-fluorophenyl)-5-methylsulfanylpyrimidin-2-yl]amino]-N-[3-(morpholin-4-ylmethyl)phenyl]benzamide
CID 134541765
(6R)-6-(2-fluorophenyl)-N-[3-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 59489803
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619
[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040158
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-N-[3-(morpholin-4-ylmethyl)phenyl]-1,3-thiazol-2-amine
CID 22971210
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine (CID 159000817) is 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine is Cc1ccccc1C1=Cc2nc(Nc3cccc(CN4CCOCC4)c3)ncc2C1.
What is the InChIKey of 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is JRHWFPCSZXFYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18-5-2-3-8-23(18)20-14-21-16-26-25(28-24(21)15-20)27-22-7-4-6-19(13-22)17-29-9-11-30-12-10-29/h2-8,13,15-16H,9-12,14,17H2,1H3,(H,26,27,28).
What are the key properties of 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine?
6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 398.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 159000817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).