4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine

C17H23N5O2 — CID 171701040

IUPAC4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3
InChIKeyAOMLOJCUJRPZEA-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.45
Rot. Bonds5

About 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine

4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine (PubChem CID 171701040) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
PubChem CID171701040
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
SMILESCOc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3
InChIKeyAOMLOJCUJRPZEA-UHFFFAOYSA-N
XLogP2.45
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine 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-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701732
2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701723
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2,4-dimethyl-6-[3-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine
CID 172899637

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine (CID 171701040) is 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine is COc1cnc(OC2CCCN(c3ccnc(C(C)C)n3)C2)nc1.
What is the InChIKey of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
The InChIKey is AOMLOJCUJRPZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)16-18-7-6-15(21-16)22-8-4-5-13(11-22)24-17-19-9-14(23-3)10-20-17/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3.
What are the key properties of 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine?
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine has a molecular weight of 329.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 171701040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).