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

C18H18N4O2 — CID 146069308

IUPAC(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CC3(C2)OCc2nc(C4CC4)ncc23)c1
InChIInChI=1S/C18H18N4O2/c1-11-4-13(6-19-5-11)17(23)22-9-18(10-22)14-7-20-16(12-2-3-12)21-15(14)8-24-18/h4-7,12H,2-3,8-10H2,1H3
InChIKeyZAQZWBXFRIBDHZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds2

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

(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 146069308) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID146069308
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)N2CC3(C2)OCc2nc(C4CC4)ncc23)c1
InChIInChI=1S/C18H18N4O2/c1-11-4-13(6-19-5-11)17(23)22-9-18(10-22)14-7-20-16(12-2-3-12)21-15(14)8-24-18/h4-7,12H,2-3,8-10H2,1H3
InChIKeyZAQZWBXFRIBDHZ-UHFFFAOYSA-N
XLogP1.94
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 146069330
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one
CID 146069283
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
CID 146069254
(3-fluoro-4-methoxyphenyl)-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
CID 146069183
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069303
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 146069133
(3aS,6aR)-2-(5-methylpyridine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682254
(3-methyl-2-pyridinyl)-(2-phenylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)methanone
CID 146069383
2-ethyl-1-(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)butan-1-one
CID 146069158
methyl (3aS,6aS)-5-(5-methylpyridine-3-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 162626109

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone (CID 146069308) is (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)N2CC3(C2)OCc2nc(C4CC4)ncc23)c1.
What is the InChIKey of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is ZAQZWBXFRIBDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-4-13(6-19-5-11)17(23)22-9-18(10-22)14-7-20-16(12-2-3-12)21-15(14)8-24-18/h4-7,12H,2-3,8-10H2,1H3.
What are the key properties of (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone?
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 322.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 146069308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).