5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C27H35N5O — CID 90360740

IUPAC5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCc2nc(N3CCC(c4cn(C)c5ccccc45)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C27H35N5O/c1-18-7-8-23-25(18)26(28-20-11-15-33-16-12-20)30-27(29-23)32-13-9-19(10-14-32)22-17-31(2)24-6-4-3-5-21(22)24/h3-6,17-20H,7-16H2,1-2H3,(H,28,29,30)
InChIKeyOCUWQLVXOFGTBM-UHFFFAOYSA-N
MW445.61 g/mol
LogP4.99
Rot. Bonds4

About 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 90360740) has the molecular formula C27H35N5O and a molecular weight of 445.61 g/mol. Its IUPAC name is 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID90360740
Molecular FormulaC27H35N5O
Molecular Weight445.61 g/mol
Exact Mass445.28
IUPAC Name5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCC1CCc2nc(N3CCC(c4cn(C)c5ccccc45)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C27H35N5O/c1-18-7-8-23-25(18)26(28-20-11-15-33-16-12-20)30-27(29-23)32-13-9-19(10-14-32)22-17-31(2)24-6-4-3-5-21(22)24/h3-6,17-20H,7-16H2,1-2H3,(H,28,29,30)
InChIKeyOCUWQLVXOFGTBM-UHFFFAOYSA-N
XLogP4.99
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 90360740) is 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CC1CCc2nc(N3CCC(c4cn(C)c5ccccc45)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is OCUWQLVXOFGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O/c1-18-7-8-23-25(18)26(28-20-11-15-33-16-12-20)30-27(29-23)32-13-9-19(10-14-32)22-17-31(2)24-6-4-3-5-21(22)24/h3-6,17-20H,7-16H2,1-2H3,(H,28,29,30).
What are the key properties of 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 445.61 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 90360740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).