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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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).