4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane

C16H26N4O — CID 72924435

IUPAC4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
SMILESCCc1cnc(N2CCCOC(CN3CCCC3)C2)nc1
InChIInChI=1S/C16H26N4O/c1-2-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-4-7-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyKWBOAMPWOSZIHN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.73
Rot. Bonds4

About 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane

4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane (PubChem CID 72924435) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
PubChem CID72924435
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
SMILESCCc1cnc(N2CCCOC(CN3CCCC3)C2)nc1
InChIInChI=1S/C16H26N4O/c1-2-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-4-7-19/h10-11,15H,2-9,12-13H2,1H3
InChIKeyKWBOAMPWOSZIHN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane 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

4-(5-Methylpyrimidin-2-YL)-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 72848462
4-(5-Ethylpyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 72891913
4,5-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75436396
1-[(5aR,9aS)-8-(5-ethylpyrimidin-2-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97511587
N,N,5-trimethyl-2-{[1-(1,4-oxazepan-4-ylmethyl)pent-4-en-1-yl]oxy}pyrimidin-4-amine
CID 56890410
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-propylpyrimidin-2-amine
CID 164635856
(3S,4S)-4-fluoro-1-(5-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 177130198
4-(5-Fluoropyrimidin-2-yl)-7,7-dimethyl-1,4-oxazepane
CID 166260618
5-Ethyl-2-[(4-fluoropyrrolidin-3-yl)oxy]pyrimidine
CID 168016883
N-methyl-1-(1-methylpyrrolidin-3-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]methanamine
CID 16673316
2-{2-[2-(dimethylamino)ethyl]-4-morpholinyl}-N,N,5-trimethyl-4-pyrimidinamine
CID 45206704

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane (CID 72924435) is 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane is CCc1cnc(N2CCCOC(CN3CCCC3)C2)nc1.
What is the InChIKey of 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
The InChIKey is KWBOAMPWOSZIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-14-10-17-16(18-11-14)20-8-5-9-21-15(13-20)12-19-6-3-4-7-19/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane?
4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane has a molecular weight of 290.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylpyrimidin-2-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 72924435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).