(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone

C21H18N4O2 — CID 146069383

IUPAC(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
SMILESCc1cccnc1C(=O)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12
InChIInChI=1S/C21H18N4O2/c1-14-6-5-9-22-18(14)20(26)25-12-21(13-25)16-10-23-19(24-17(16)11-27-21)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyMPVAIBOSYKPCTC-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.73
Rot. Bonds2

About (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone

(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone (PubChem CID 146069383) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
PubChem CID146069383
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
SMILESCc1cccnc1C(=O)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12
InChIInChI=1S/C21H18N4O2/c1-14-6-5-9-22-18(14)20(26)25-12-21(13-25)16-10-23-19(24-17(16)11-27-21)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3
InChIKeyMPVAIBOSYKPCTC-UHFFFAOYSA-N
XLogP2.73
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone (CID 146069383) is (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone is Cc1cccnc1C(=O)N1CC2(C1)OCc1nc(-c3ccccc3)ncc12.
What is the InChIKey of (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone?
The InChIKey is MPVAIBOSYKPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-6-5-9-22-18(14)20(26)25-12-21(13-25)16-10-23-19(24-17(16)11-27-21)15-7-3-2-4-8-15/h2-10H,11-13H2,1H3.
What are the key properties of (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone?
(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone has a molecular weight of 358.40 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone is sourced from PubChem (CID 146069383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).