2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

C20H24N4O — CID 146069316

IUPAC2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1cncc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)c1
InChIInChI=1S/C20H24N4O/c1-2-6-16(7-3-1)19-22-10-17-18(23-19)12-25-20(17)13-24(14-20)11-15-5-4-8-21-9-15/h4-5,8-10,16H,1-3,6-7,11-14H2
InChIKeyYPQXITVTWDIHKV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds3

About 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]

2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (PubChem CID 146069316) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].

Molecular Properties

Compound Name2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
PubChem CID146069316
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
SMILESc1cncc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)c1
InChIInChI=1S/C20H24N4O/c1-2-6-16(7-3-1)19-22-10-17-18(23-19)12-25-20(17)13-24(14-20)11-15-5-4-8-21-9-15/h4-5,8-10,16H,1-3,6-7,11-14H2
InChIKeyYPQXITVTWDIHKV-UHFFFAOYSA-N
XLogP3.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] with MolForge

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Related Compounds

1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069323
2-cyclopropyl-1'-(pyridin-4-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069303
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069310
1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241424
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
2-cyclopropyl-N-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900331
(8S)-8-(pyridin-3-ylmethoxymethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124796490
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The IUPAC name of 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] (CID 146069316) is 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine].
What is the SMILES notation for 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The canonical SMILES for 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is c1cncc(CN2CC3(C2)OCc2nc(C4CCCCC4)ncc23)c1.
What is the InChIKey of 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
The InChIKey is YPQXITVTWDIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-6-16(7-3-1)19-22-10-17-18(23-19)12-25-20(17)13-24(14-20)11-15-5-4-8-21-9-15/h4-5,8-10,16H,1-3,6-7,11-14H2.
What are the key properties of 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]?
2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] has a molecular weight of 336.44 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine] is sourced from PubChem (CID 146069316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).