[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

C22H25N3O2 — CID 135088864

IUPAC[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESO=C(N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)C1(CO)CC1
InChIInChI=1S/C22H25N3O2/c26-15-22(10-11-22)20(27)25-12-4-8-21(14-25)9-7-17-13-23-19(24-18(17)21)16-5-2-1-3-6-16/h1-3,5-6,13,26H,4,7-12,14-15H2
InChIKeyXMAYTENVRWHMDB-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.72
Rot. Bonds3

About [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone

[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (PubChem CID 135088864) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
PubChem CID135088864
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
SMILESO=C(N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)C1(CO)CC1
InChIInChI=1S/C22H25N3O2/c26-15-22(10-11-22)20(27)25-12-4-8-21(14-25)9-7-17-13-23-19(24-18(17)21)16-5-2-1-3-6-16/h1-3,5-6,13,26H,4,7-12,14-15H2
InChIKeyXMAYTENVRWHMDB-UHFFFAOYSA-N
XLogP2.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The IUPAC name of [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone (CID 135088864) is [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The canonical SMILES for [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is O=C(N1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)C1(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
The InChIKey is XMAYTENVRWHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-15-22(10-11-22)20(27)25-12-4-8-21(14-25)9-7-17-13-23-19(24-18(17)21)16-5-2-1-3-6-16/h1-3,5-6,13,26H,4,7-12,14-15H2.
What are the key properties of [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone?
[1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)cyclopropyl]-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 135088864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).