5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine

C18H30N4O2 — CID 110118038

IUPAC5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
SMILESCOCCN1CCN(Cc2cnc(C3(C)CCCCO3)nc2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(5-3-4-11-24-18)17-19-13-16(14-20-17)15-22-8-6-21(7-9-22)10-12-23-2/h13-14H,3-12,15H2,1-2H3
InChIKeyYQTYFFWZKVBOCI-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.66
Rot. Bonds6

About 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine

5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine (PubChem CID 110118038) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
PubChem CID110118038
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine
SMILESCOCCN1CCN(Cc2cnc(C3(C)CCCCO3)nc2)CC1
InChIInChI=1S/C18H30N4O2/c1-18(5-3-4-11-24-18)17-19-13-16(14-20-17)15-22-8-6-21(7-9-22)10-12-23-2/h13-14H,3-12,15H2,1-2H3
InChIKeyYQTYFFWZKVBOCI-UHFFFAOYSA-N
XLogP1.66
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[(2-Morpholin-4-ylpyrimidin-5-yl)methylamino]methyl]cyclohexan-1-ol
CID 72024778
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 110118022
2-(2-Methyloxan-2-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrimidine
CID 110118027
4-[[2-(2-Methyloxan-2-yl)pyrimidin-5-yl]methyl]thiomorpholine
CID 110118036
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
4-[[2-(Oxan-2-yl)pyrimidin-5-yl]methyl]morpholine
CID 118740131
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
1-[4-(5-Methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118742796
N,N-dimethyl-2-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 118745728
2-(4-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}piperazin-1-YL)-5-methylpyrimidin-4-amine
CID 56716702
N,N-dimethyl-5-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576652

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine?
The IUPAC name of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine (CID 110118038) is 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine.
What is the SMILES notation for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine?
The canonical SMILES for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine is COCCN1CCN(Cc2cnc(C3(C)CCCCO3)nc2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine?
The InChIKey is YQTYFFWZKVBOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(5-3-4-11-24-18)17-19-13-16(14-20-17)15-22-8-6-21(7-9-22)10-12-23-2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine?
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine has a molecular weight of 334.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-(2-methyloxan-2-yl)pyrimidine is sourced from PubChem (CID 110118038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).