2-benzyl-4-methylpyrimidine;ethane

C14H18N2 — CID 142020673

IUPAC2-benzyl-4-methylpyrimidine;ethane
SMILESCC.Cc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C12H12N2.C2H6/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyRNNDNVXIRNKRHF-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.40
Rot. Bonds2

About 2-benzyl-4-methylpyrimidine;ethane

2-benzyl-4-methylpyrimidine;ethane (PubChem CID 142020673) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-benzyl-4-methylpyrimidine;ethane.

Molecular Properties

Compound Name2-benzyl-4-methylpyrimidine;ethane
PubChem CID142020673
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-benzyl-4-methylpyrimidine;ethane
SMILESCC.Cc1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C12H12N2.C2H6/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3
InChIKeyRNNDNVXIRNKRHF-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibenzylpyrimidine
CID 59375877
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
CID 21028246
2-benzylpyrimidine
CID 13143744
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
2-(bromomethyl)-4-methylpyrimidine
CID 86070948
2-benzyl-4-[(2-bromo-6-methyl-3-pyridinyl)oxy]pyrimidine
CID 133476998
2-benzyl-4-methyl-1,3,5-triazine
CID 76608302
N-methyl-2-(4-methylpyrimidin-2-yl)-1-phenylethanamine
CID 63199814
2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
benzylbenzene;2-(pyrimidin-2-ylmethyl)pyrimidine
CID 143615009
2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 136521532

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methylpyrimidine;ethane?
The IUPAC name of 2-benzyl-4-methylpyrimidine;ethane (CID 142020673) is 2-benzyl-4-methylpyrimidine;ethane.
What is the SMILES notation for 2-benzyl-4-methylpyrimidine;ethane?
The canonical SMILES for 2-benzyl-4-methylpyrimidine;ethane is CC.Cc1ccnc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4-methylpyrimidine;ethane?
The InChIKey is RNNDNVXIRNKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2H6/c1-10-7-8-13-12(14-10)9-11-5-3-2-4-6-11;1-2/h2-8H,9H2,1H3;1-2H3.
What are the key properties of 2-benzyl-4-methylpyrimidine;ethane?
2-benzyl-4-methylpyrimidine;ethane has a molecular weight of 214.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methylpyrimidine;ethane is sourced from PubChem (CID 142020673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).