4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

C14H16ClN5O — CID 86665163

IUPAC4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(Cl)ncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16ClN5O/c1-10-12(15)18-9-19-13(10)21-11-3-7-20(8-4-11)14-16-5-2-6-17-14/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyXZRLSMBJPXFHEL-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.28
Rot. Bonds3

About 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (PubChem CID 86665163) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
PubChem CID86665163
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(Cl)ncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16ClN5O/c1-10-12(15)18-9-19-13(10)21-11-3-7-20(8-4-11)14-16-5-2-6-17-14/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKeyXZRLSMBJPXFHEL-UHFFFAOYSA-N
XLogP2.28
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine 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

5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 154461657
N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
CID 87578263
1-(4-methoxyphenyl)-N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxyethanimine
CID 87578363
4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 67511535
4-(1,3,2-dioxathian-5-yl)-2-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]phenol
CID 136601990
2-[1-(6-chloro-5-methylpyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82691796
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
4-chloro-2-(4-phenoxypiperidin-1-yl)pyrimidine
CID 176574621
CID 88897667
CID 88897667
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
methyl (5R)-3-(6-chloro-5-methylpyrimidin-4-yl)oxy-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 88898453
4-chloro-5-methyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 103500926

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (CID 86665163) is 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is Cc1c(Cl)ncnc1OC1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The InChIKey is XZRLSMBJPXFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-10-12(15)18-9-19-13(10)21-11-3-7-20(8-4-11)14-16-5-2-6-17-14/h2,5-6,9,11H,3-4,7-8H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine has a molecular weight of 305.77 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 86665163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).