2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine

C14H19N7O — CID 176556495

IUPAC2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCOCC1CN(c2ncc(C)cn2)CCN1c1ncncn1
InChIInChI=1S/C14H19N7O/c1-11-5-16-13(17-6-11)20-3-4-21(12(7-20)8-22-2)14-18-9-15-10-19-14/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeySQUZVWYHRHMXGH-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.31
Rot. Bonds4

About 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine

2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine (PubChem CID 176556495) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
PubChem CID176556495
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine
SMILESCOCC1CN(c2ncc(C)cn2)CCN1c1ncncn1
InChIInChI=1S/C14H19N7O/c1-11-5-16-13(17-6-11)20-3-4-21(12(7-20)8-22-2)14-18-9-15-10-19-14/h5-6,9-10,12H,3-4,7-8H2,1-2H3
InChIKeySQUZVWYHRHMXGH-UHFFFAOYSA-N
XLogP0.31
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;2-[2-[[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methoxy]ethoxy]ethanol
CID 176556513
ethane;[4-(5-methylpyrimidin-2-yl)-1-(1,3,5-triazin-2-yl)piperazin-2-yl]methanol;molecular hydrogen
CID 176556468
2-[2-(2,2-dimethoxyethoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine;ethane;methane;methanethiol;thiohypoiodous acid
CID 176556417
2-[(2R)-4-[5-[2-[2-[1-(3-fluoropropyl)pyrazol-4-yl]pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]-2-(methoxymethyl)piperazin-1-yl]-1,3,5-triazine
CID 178066059
2-[(2R)-2-[2-(2-fluoroethoxy)ethoxymethyl]-4-[5-[2-[2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]ethynyl]pyrimidin-2-yl]piperazin-1-yl]-1,3,5-triazine
CID 178066031
5-[5-[2-[2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]pyrimidin-5-yl]ethynyl]-2-pyridinyl]-1,3-oxazole
CID 178066052
2-[(3R)-4-[5-(2-fluoroethoxy)pyrimidin-2-yl]-3-(methoxymethyl)piperazin-1-yl]-5-[(E)-2-(6-imidazol-1-yl-3-pyridinyl)ethenyl]pyrimidine
CID 176556423
2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 133404031
2-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-5-amine
CID 106585802
(7R,8aR)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125192449
(7R,8aS)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386232
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The IUPAC name of 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine (CID 176556495) is 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine is COCC1CN(c2ncc(C)cn2)CCN1c1ncncn1.
What is the InChIKey of 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
The InChIKey is SQUZVWYHRHMXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-11-5-16-13(17-6-11)20-3-4-21(12(7-20)8-22-2)14-18-9-15-10-19-14/h5-6,9-10,12H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine?
2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine has a molecular weight of 301.35 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)-4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-1,3,5-triazine is sourced from PubChem (CID 176556495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).