3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

C16H26N4O — CID 133490367

IUPAC3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCOc1cc(N2CCC3CCC(C2)N3C(C)C)ncn1
InChIInChI=1S/C16H26N4O/c1-4-21-16-9-15(17-11-18-16)19-8-7-13-5-6-14(10-19)20(13)12(2)3/h9,11-14H,4-8,10H2,1-3H3
InChIKeyLKMYSKXSMXEVHR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds4

About 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane

3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 133490367) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID133490367
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
SMILESCCOc1cc(N2CCC3CCC(C2)N3C(C)C)ncn1
InChIInChI=1S/C16H26N4O/c1-4-21-16-9-15(17-11-18-16)19-8-7-13-5-6-14(10-19)20(13)12(2)3/h9,11-14H,4-8,10H2,1-3H3
InChIKeyLKMYSKXSMXEVHR-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-ethoxypyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 86797858
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
1-(6-ethoxypyrimidin-4-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 66569687
(4aR,8aR)-6-(6-ethoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 99620090
1-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976631
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-(1H-imidazol-2-yl)methanol
CID 139010879
3-(4,6-dimethylpyrimidin-2-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 75423484
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488821
4-ethoxy-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
CID 75510045
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
3-chloro-8-(6-ethoxypyrimidin-4-yl)-8-azabicyclo[3.2.1]octane
CID 66331960

Frequently Asked Questions

What is the IUPAC name of 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane (CID 133490367) is 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is CCOc1cc(N2CCC3CCC(C2)N3C(C)C)ncn1.
What is the InChIKey of 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is LKMYSKXSMXEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-21-16-9-15(17-11-18-16)19-8-7-13-5-6-14(10-19)20(13)12(2)3/h9,11-14H,4-8,10H2,1-3H3.
What are the key properties of 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane?
3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 290.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethoxypyrimidin-4-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 133490367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).