2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine

C14H22N4O — CID 123694030

IUPAC2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H22N4O/c1-12-15-5-2-14(16-12)18-8-6-17(7-9-18)13-3-10-19-11-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyXIEQJINXKGQNMD-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.09
Rot. Bonds2

About 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine

2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 123694030) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
PubChem CID123694030
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(C3CCOCC3)CC2)n1
InChIInChI=1S/C14H22N4O/c1-12-15-5-2-14(16-12)18-8-6-17(7-9-18)13-3-10-19-11-4-13/h2,5,13H,3-4,6-11H2,1H3
InChIKeyXIEQJINXKGQNMD-UHFFFAOYSA-N
XLogP1.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
(6R)-N,N-dimethyl-1-(2-methylpyrimidin-4-yl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124943585
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-[(1R,2S)-2-(oxan-4-yl)cyclopropyl]methanone
CID 136584835
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-[4-(oxan-4-yl)piperazin-1-yl]quinoxaline
CID 146046486
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
4-chloro-2-methyl-6-[4-(oxolan-3-yl)piperazin-1-yl]pyrimidine
CID 71846233
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
CID 136528453

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine (CID 123694030) is 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine is Cc1nccc(N2CCN(C3CCOCC3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is XIEQJINXKGQNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12-15-5-2-14(16-12)18-8-6-17(7-9-18)13-3-10-19-11-4-13/h2,5,13H,3-4,6-11H2,1H3.
What are the key properties of 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine?
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 123694030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).