(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine

C14H17N3 — CID 28916465

IUPAC(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
SMILESCc1nc(Cc2ccccc2)nc(C)c1CN
InChIInChI=1S/C14H17N3/c1-10-13(9-15)11(2)17-14(16-10)8-12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3
InChIKeyIUKFPWMIRFAFDT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.14
Rot. Bonds3

About (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine

(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine (PubChem CID 28916465) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
PubChem CID28916465
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
SMILESCc1nc(Cc2ccccc2)nc(C)c1CN
InChIInChI=1S/C14H17N3/c1-10-13(9-15)11(2)17-14(16-10)8-12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3
InChIKeyIUKFPWMIRFAFDT-UHFFFAOYSA-N
XLogP2.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-[4,6-dimethyl-2-(2-phenylethyl)pyrimidin-5-yl]ethanamine
CID 62746647
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
2-benzyl-6-methylpurin-9-amine
CID 175037804
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
CID 103431682
benzylbenzene;ethane;methanamine
CID 54117827
(2-benzylpyrimidin-4-yl)methanamine
CID 62748253
(8-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methanamine
CID 82166971
3-[2-[(3-fluorophenyl)methyl]-4,6-dimethylpyrimidin-5-yl]-2-methylpropan-1-amine
CID 65294050
[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]methanamine;hydrochloride
CID 82021867
3,4-dibenzyl-2,6-dimethylpyridine
CID 139645873

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine?
The IUPAC name of (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine (CID 28916465) is (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine?
The canonical SMILES for (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine is Cc1nc(Cc2ccccc2)nc(C)c1CN.
What is the InChIKey of (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine?
The InChIKey is IUKFPWMIRFAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-13(9-15)11(2)17-14(16-10)8-12-6-4-3-5-7-12/h3-7H,8-9,15H2,1-2H3.
What are the key properties of (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine?
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 28916465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).