1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C20H26N6O2 — CID 155506794

IUPAC1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1cc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)ncn1
InChIInChI=1S/C20H26N6O2/c1-14-12-16(22-13-21-14)25-6-4-20(5-7-25)3-2-15-17(20)23-19(24-18(15)27)26-8-10-28-11-9-26/h12-13H,2-11H2,1H3,(H,23,24,27)
InChIKeyKKKOBPFRFQKABR-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.19
Rot. Bonds2

About 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155506794) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155506794
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCc1cc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)ncn1
InChIInChI=1S/C20H26N6O2/c1-14-12-16(22-13-21-14)25-6-4-20(5-7-25)3-2-15-17(20)23-19(24-18(15)27)26-8-10-28-11-9-26/h12-13H,2-11H2,1H3,(H,23,24,27)
InChIKeyKKKOBPFRFQKABR-UHFFFAOYSA-N
XLogP1.19
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155506794) is 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is Cc1cc(N2CCC3(CCc4c3nc(N3CCOCC3)[nH]c4=O)CC2)ncn1.
What is the InChIKey of 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is KKKOBPFRFQKABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-12-16(22-13-21-14)25-6-4-20(5-7-25)3-2-15-17(20)23-19(24-18(15)27)26-8-10-28-11-9-26/h12-13H,2-11H2,1H3,(H,23,24,27).
What are the key properties of 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 382.47 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(6-methylpyrimidin-4-yl)-2-morpholin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155506794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).