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

C15H24N4O — CID 171327906

IUPAC4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-13-5-6-16-15(17-13)19-9-7-18(8-10-19)12-14-4-2-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyQUMAAQNDSFZJMV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.48
Rot. Bonds3

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

4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 171327906) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID171327906
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine
SMILESCc1ccnc(N2CCN(CC3CCCCO3)CC2)n1
InChIInChI=1S/C15H24N4O/c1-13-5-6-16-15(17-13)19-9-7-18(8-10-19)12-14-4-2-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3
InChIKeyQUMAAQNDSFZJMV-UHFFFAOYSA-N
XLogP1.48
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 51614940
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 172899503
2-morpholin-4-yl-N-[1-(oxan-2-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901310
6-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 43591958
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
4-[[1-(4-methylpyrimidin-2-yl)piperidin-2-yl]methyl]morpholine
CID 133309507
3-methyl-6-[4-(oxan-2-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 56778614
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
1-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350924
3-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 171333947
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine (CID 171327906) is 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine is Cc1ccnc(N2CCN(CC3CCCCO3)CC2)n1.
What is the InChIKey of 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is QUMAAQNDSFZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13-5-6-16-15(17-13)19-9-7-18(8-10-19)12-14-4-2-3-11-20-14/h5-6,14H,2-4,7-12H2,1H3.
What are the key properties of 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine?
4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 276.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(oxan-2-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171327906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).