2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C18H21N5O — CID 155502439

IUPAC2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O/c24-16-13-4-5-18(14(13)21-15(22-16)12-2-3-12)6-10-23(11-7-18)17-19-8-1-9-20-17/h1,8-9,12H,2-7,10-11H2,(H,21,22,24)
InChIKeyRFAADEKXTSHYGE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.92
Rot. Bonds2

About 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 155502439) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID155502439
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCN(c2ncccn2)CC1
InChIInChI=1S/C18H21N5O/c24-16-13-4-5-18(14(13)21-15(22-16)12-2-3-12)6-10-23(11-7-18)17-19-8-1-9-20-17/h1,8-9,12H,2-7,10-11H2,(H,21,22,24)
InChIKeyRFAADEKXTSHYGE-UHFFFAOYSA-N
XLogP1.92
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 155502439) is 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is O=c1[nH]c(C2CC2)nc2c1CCC21CCN(c2ncccn2)CC1.
What is the InChIKey of 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is RFAADEKXTSHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-16-13-4-5-18(14(13)21-15(22-16)12-2-3-12)6-10-23(11-7-18)17-19-8-1-9-20-17/h1,8-9,12H,2-7,10-11H2,(H,21,22,24).
What are the key properties of 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 323.40 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 155502439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).