N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine

C14H17N3 — CID 116898542

IUPACN-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2ccccc2C)n1
InChIInChI=1S/C14H17N3/c1-3-15-10-14-16-9-8-13(17-14)12-7-5-4-6-11(12)2/h4-9,15H,3,10H2,1-2H3
InChIKeyZKWPJCNAPFNQFM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.56
Rot. Bonds4

About N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine

N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine (PubChem CID 116898542) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
PubChem CID116898542
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2ccccc2C)n1
InChIInChI=1S/C14H17N3/c1-3-15-10-14-16-9-8-13(17-14)12-7-5-4-6-11(12)2/h4-9,15H,3,10H2,1-2H3
InChIKeyZKWPJCNAPFNQFM-UHFFFAOYSA-N
XLogP2.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898515
N-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898543
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
3-methyl-3-[4-(2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898387
4-(2-methylphenyl)-2-methylsulfanylpyrimidine
CID 71185326
N-[(4-propan-2-ylpyrimidin-2-yl)methyl]ethanamine
CID 63318725
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
N,2-diethyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80935861
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
CID 164739246
2-[2-(chloromethyl)pyrimidin-4-yl]phenol
CID 174635932
3-amino-3-[4-(2-methylphenyl)pyrimidin-2-yl]propanoic acid
CID 116902337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine (CID 116898542) is N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine is CCNCc1nccc(-c2ccccc2C)n1.
What is the InChIKey of N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine?
The InChIKey is ZKWPJCNAPFNQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-3-15-10-14-16-9-8-13(17-14)12-7-5-4-6-11(12)2/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine?
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 116898542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).