2-(pyrimidin-2-ylmethyl)-1,3,5-triazine

C8H7N5 — CID 67979654

IUPAC2-(pyrimidin-2-ylmethyl)-1,3,5-triazine
SMILESc1cnc(Cc2ncncn2)nc1
InChIInChI=1S/C8H7N5/c1-2-10-7(11-3-1)4-8-12-5-9-6-13-8/h1-3,5-6H,4H2
InChIKeyPQZHGSGAOTUNFT-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.25
Rot. Bonds2

About 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine

2-(pyrimidin-2-ylmethyl)-1,3,5-triazine (PubChem CID 67979654) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(pyrimidin-2-ylmethyl)-1,3,5-triazine
PubChem CID67979654
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name2-(pyrimidin-2-ylmethyl)-1,3,5-triazine
SMILESc1cnc(Cc2ncncn2)nc1
InChIInChI=1S/C8H7N5/c1-2-10-7(11-3-1)4-8-12-5-9-6-13-8/h1-3,5-6H,4H2
InChIKeyPQZHGSGAOTUNFT-UHFFFAOYSA-N
XLogP0.25
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzylbenzene;2-(pyrimidin-2-ylmethyl)pyrimidine
CID 143615009
2-pyrimidin-2-yl-1,3,5-triazine
CID 57112372
2-benzylpyrimidine
CID 13143744
2-(2-chloroethyl)-1,3,5-triazine
CID 69167815
pyrimidin-2-ylmethanol
CID 2763024
2-(2,2-dimethylpropoxymethyl)-1,3,5-triazine
CID 134581621
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;methane
CID 158586506
ethane;ethylbenzene;3-ethylpyridine;4-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3,5-triazine;propane
CID 159885585
ethane;pyrimidin-2-ylmethanol
CID 143639944
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
CID 151551370
1-(1,3,5-triazin-2-yl)propan-2-amine
CID 70362095
propane;pyrido[3,2-d]pyrimidine
CID 144881600

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine?
The IUPAC name of 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine (CID 67979654) is 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine?
The canonical SMILES for 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine is c1cnc(Cc2ncncn2)nc1.
What is the InChIKey of 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine?
The InChIKey is PQZHGSGAOTUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-2-10-7(11-3-1)4-8-12-5-9-6-13-8/h1-3,5-6H,4H2.
What are the key properties of 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine?
2-(pyrimidin-2-ylmethyl)-1,3,5-triazine has a molecular weight of 173.18 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-2-ylmethyl)-1,3,5-triazine is sourced from PubChem (CID 67979654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).