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

C18H22N4O — CID 155980412

IUPAC4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-23-16-4-2-3-15(11-16)21-7-9-22(10-8-21)18-12-17(14-5-6-14)19-13-20-18/h2-4,11-14H,5-10H2,1H3
InChIKeyTXODXLXIELZQHH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.69
Rot. Bonds4

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

4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (PubChem CID 155980412) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
PubChem CID155980412
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1
InChIInChI=1S/C18H22N4O/c1-23-16-4-2-3-15(11-16)21-7-9-22(10-8-21)18-12-17(14-5-6-14)19-13-20-18/h2-4,11-14H,5-10H2,1H3
InChIKeyTXODXLXIELZQHH-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclobutyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 155941962
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-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 172891247
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139022902
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine (CID 155980412) is 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is COc1cccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1.
What is the InChIKey of 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
The InChIKey is TXODXLXIELZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-23-16-4-2-3-15(11-16)21-7-9-22(10-8-21)18-12-17(14-5-6-14)19-13-20-18/h2-4,11-14H,5-10H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine has a molecular weight of 310.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155980412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).