6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine

C24H30N4O — CID 157444199

IUPAC6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCc1ccccc1C1=Cc2nc(NCC3(N4CCOCC4)CCCC3)ncc2C1
InChIInChI=1S/C24H30N4O/c1-18-6-2-3-7-21(18)19-14-20-16-25-23(27-22(20)15-19)26-17-24(8-4-5-9-24)28-10-12-29-13-11-28/h2-3,6-7,15-16H,4-5,8-14,17H2,1H3,(H,25,26,27)
InChIKeyBSAIOPPPPRVWJF-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.94
Rot. Bonds5

About 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine

6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine (PubChem CID 157444199) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
PubChem CID157444199
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine
SMILESCc1ccccc1C1=Cc2nc(NCC3(N4CCOCC4)CCCC3)ncc2C1
InChIInChI=1S/C24H30N4O/c1-18-6-2-3-7-21(18)19-14-20-16-25-23(27-22(20)15-19)26-17-24(8-4-5-9-24)28-10-12-29-13-11-28/h2-3,6-7,15-16H,4-5,8-14,17H2,1H3,(H,25,26,27)
InChIKeyBSAIOPPPPRVWJF-UHFFFAOYSA-N
XLogP3.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The IUPAC name of 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine (CID 157444199) is 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine is Cc1ccccc1C1=Cc2nc(NCC3(N4CCOCC4)CCCC3)ncc2C1.
What is the InChIKey of 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine?
The InChIKey is BSAIOPPPPRVWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-6-2-3-7-21(18)19-14-20-16-25-23(27-22(20)15-19)26-17-24(8-4-5-9-24)28-10-12-29-13-11-28/h2-3,6-7,15-16H,4-5,8-14,17H2,1H3,(H,25,26,27).
What are the key properties of 6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine?
6-(2-methylphenyl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine has a molecular weight of 390.53 g/mol, XLogP of 3.94, 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-[(1-morpholin-4-ylcyclopentyl)methyl]-5H-cyclopenta[d]pyrimidin-2-amine is sourced from PubChem (CID 157444199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).