8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

C18H22N4O — CID 133298055

IUPAC8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1cc(N2C3CCC2CC(O)C3)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22N4O/c1-2-12-9-17(21-18(20-12)16-5-3-4-8-19-16)22-13-6-7-14(22)11-15(23)10-13/h3-5,8-9,13-15,23H,2,6-7,10-11H2,1H3
InChIKeySFVDKEYIWMCPJB-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.59
Rot. Bonds3

About 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 133298055) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID133298055
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1cc(N2C3CCC2CC(O)C3)nc(-c2ccccn2)n1
InChIInChI=1S/C18H22N4O/c1-2-12-9-17(21-18(20-12)16-5-3-4-8-19-16)22-13-6-7-14(22)11-15(23)10-13/h3-5,8-9,13-15,23H,2,6-7,10-11H2,1H3
InChIKeySFVDKEYIWMCPJB-UHFFFAOYSA-N
XLogP2.59
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
2-[(2R,4S)-1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-fluoropyrrolidin-2-yl]acetic acid
CID 167896511
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
CID 133394955
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011
4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952
4-ethyl-6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133348256
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868

Frequently Asked Questions

What is the IUPAC name of 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 133298055) is 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is CCc1cc(N2C3CCC2CC(O)C3)nc(-c2ccccn2)n1.
What is the InChIKey of 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SFVDKEYIWMCPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-12-9-17(21-18(20-12)16-5-3-4-8-19-16)22-13-6-7-14(22)11-15(23)10-13/h3-5,8-9,13-15,23H,2,6-7,10-11H2,1H3.
What are the key properties of 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 310.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 133298055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).