5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine

C22H27N3O3 — CID 118468024

IUPAC5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine
SMILESCc1ncc(C2CCC3(CC2)OCCO3)c(OC[C@H]2C[C@H]2c2ccccn2)n1
InChIInChI=1S/C22H27N3O3/c1-15-24-13-19(16-5-7-22(8-6-16)27-10-11-28-22)21(25-15)26-14-17-12-18(17)20-4-2-3-9-23-20/h2-4,9,13,16-18H,5-8,10-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyGSZFGMCXFZTNRV-QZTJIDSGSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds5

About 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine

5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine (PubChem CID 118468024) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine
PubChem CID118468024
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine
SMILESCc1ncc(C2CCC3(CC2)OCCO3)c(OC[C@H]2C[C@H]2c2ccccn2)n1
InChIInChI=1S/C22H27N3O3/c1-15-24-13-19(16-5-7-22(8-6-16)27-10-11-28-22)21(25-15)26-14-17-12-18(17)20-4-2-3-9-23-20/h2-4,9,13,16-18H,5-8,10-12,14H2,1H3/t17-,18-/m1/s1
InChIKeyGSZFGMCXFZTNRV-QZTJIDSGSA-N
XLogP3.76
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2S)-2-(4-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 118468036
2-[(1S,2S)-2-[[5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 118468055
4-[2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]cyclohexan-1-ol
CID 118468030
4-[4-[[(1S,2R)-2-(5-ethyl-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 90182156
1-[5-[2-methyl-4-[[(2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]cyclopentan-1-ol
CID 129167339
2-[4-methyl-5-[2-methyl-4-[[(2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]propan-2-ol
CID 129167401
2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
CID 71062877
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclopentan-1-one
CID 118468070
4-[4-[[2-(2-ethyl-4-methylphenyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 123338581
cis-(1S,3R)-3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol;cis-(1R,3S)-3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-ol
CID 157066367
3-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]cyclohexan-1-one
CID 118468040
5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine (CID 118468024) is 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine is Cc1ncc(C2CCC3(CC2)OCCO3)c(OC[C@H]2C[C@H]2c2ccccn2)n1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine?
The InChIKey is GSZFGMCXFZTNRV-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-24-13-19(16-5-7-22(8-6-16)27-10-11-28-22)21(25-15)26-14-17-12-18(17)20-4-2-3-9-23-20/h2-4,9,13,16-18H,5-8,10-12,14H2,1H3/t17-,18-/m1/s1.
What are the key properties of 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine?
5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine has a molecular weight of 381.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methyl-4-[[(1S,2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 118468024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).