1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine

C14H17N3 — CID 83850126

IUPAC1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
SMILESCc1nc(-c2ccccc2)c(C)c(C(C)N)n1
InChIInChI=1S/C14H17N3/c1-9-13(10(2)15)16-11(3)17-14(9)12-7-5-4-6-8-12/h4-8,10H,15H2,1-3H3
InChIKeyRSYLTDCYUIZYJB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.78
Rot. Bonds2

About 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine

1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine (PubChem CID 83850126) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
PubChem CID83850126
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
SMILESCc1nc(-c2ccccc2)c(C)c(C(C)N)n1
InChIInChI=1S/C14H17N3/c1-9-13(10(2)15)16-11(3)17-14(9)12-7-5-4-6-8-12/h4-8,10H,15H2,1-3H3
InChIKeyRSYLTDCYUIZYJB-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498
(1S)-1-(4-phenylphenyl)ethanamine;hydrochloride
CID 54594942
2-methyl-4-phenyl-6-(4-phenylphenyl)quinazoline
CID 161216404
2,4-dimethyl-6-(5-methyl-6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580781
2-methyl-4-phenylphenanthro[9,10-d]pyrimidine
CID 140928944
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361
azane;1,4-dimethyl-3-phenylisoquinoline
CID 175418789
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine (CID 83850126) is 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine is Cc1nc(-c2ccccc2)c(C)c(C(C)N)n1.
What is the InChIKey of 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine?
The InChIKey is RSYLTDCYUIZYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-13(10(2)15)16-11(3)17-14(9)12-7-5-4-6-8-12/h4-8,10H,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine?
1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 83850126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).