4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine

C19H24N4O — CID 155941962

IUPAC4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-24-17-7-3-6-16(12-17)22-8-10-23(11-9-22)19-13-18(20-14-21-19)15-4-2-5-15/h3,6-7,12-15H,2,4-5,8-11H2,1H3
InChIKeyXDBIIHIROFIDLW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.08
Rot. Bonds4

About 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine

4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (PubChem CID 155941962) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
PubChem CID155941962
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)c1
InChIInChI=1S/C19H24N4O/c1-24-17-7-3-6-16(12-17)22-8-10-23(11-9-22)19-13-18(20-14-21-19)15-4-2-5-15/h3,6-7,12-15H,2,4-5,8-11H2,1H3
InChIKeyXDBIIHIROFIDLW-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155980412
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155823188
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154853650
4-cyclopropyl-6-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 155976177
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
1-(3-methoxyphenyl)azepane
CID 57276431
N-[1-(6-cyclobutylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 171335953
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 172891247
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 102563230

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (CID 155941962) is 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is COc1cccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)c1.
What is the InChIKey of 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is XDBIIHIROFIDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-17-7-3-6-16(12-17)22-8-10-23(11-9-22)19-13-18(20-14-21-19)15-4-2-5-15/h3,6-7,12-15H,2,4-5,8-11H2,1H3.
What are the key properties of 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 324.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155941962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).