2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol

C14H24N4O — CID 155198588

IUPAC2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCC(C)c1cnc(N2CCCN(CCO)CC2)nc1
InChIInChI=1S/C14H24N4O/c1-12(2)13-10-15-14(16-11-13)18-5-3-4-17(6-7-18)8-9-19/h10-12,19H,3-9H2,1-2H3
InChIKeyZRJBEXZOWWRVLX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 155198588) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID155198588
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
SMILESCC(C)c1cnc(N2CCCN(CCO)CC2)nc1
InChIInChI=1S/C14H24N4O/c1-12(2)13-10-15-14(16-11-13)18-5-3-4-17(6-7-18)8-9-19/h10-12,19H,3-9H2,1-2H3
InChIKeyZRJBEXZOWWRVLX-UHFFFAOYSA-N
XLogP1.10
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol 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

2-[4-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]-1,4-diazepan-1-yl]ethanol
CID 107223732
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
CID 168923399
2-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 113253598
3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine
CID 164557074
(1S)-1-[4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]phenyl]ethanol
CID 107223590
2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)ethanol
CID 63309595
2-(4-methylsulfanylpiperazin-1-yl)-5-propan-2-ylpyrimidine
CID 170578460
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
1-(2-chloroethyl)-4-(5-fluoropyrimidin-2-yl)-1,4-diazepane
CID 104606670

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol (CID 155198588) is 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol is CC(C)c1cnc(N2CCCN(CCO)CC2)nc1.
What is the InChIKey of 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is ZRJBEXZOWWRVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(2)13-10-15-14(16-11-13)18-5-3-4-17(6-7-18)8-9-19/h10-12,19H,3-9H2,1-2H3.
What are the key properties of 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-propan-2-ylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 155198588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).