N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine

C14H17N3 — CID 64680497

IUPACN-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
SMILESCCc1ccccc1CNCc1ccncn1
InChIInChI=1S/C14H17N3/c1-2-12-5-3-4-6-13(12)9-16-10-14-7-8-15-11-17-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyNNFITUXUPQTGTE-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine

N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine (PubChem CID 64680497) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
PubChem CID64680497
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine
SMILESCCc1ccccc1CNCc1ccncn1
InChIInChI=1S/C14H17N3/c1-2-12-5-3-4-6-13(12)9-16-10-14-7-8-15-11-17-14/h3-8,11,16H,2,9-10H2,1H3
InChIKeyNNFITUXUPQTGTE-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-pyrimidin-4-ylmethanamine
CID 55109911
2-(2-methylphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 79763577
1-pyridin-3-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 62760396
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
2-(pyrimidin-4-ylmethylamino)acetamide
CID 62758549
4-phenyl-N-(pyrimidin-4-ylmethyl)butan-2-amine
CID 62760223
3-phenyl-N-(pyrimidin-4-ylmethyl)butan-1-amine
CID 55152743
N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
CID 62748739
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
CID 62760578
1-(4-ethylphenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64680912
N-(pyrimidin-4-ylmethyl)prop-2-en-1-amine
CID 62758916
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine (CID 64680497) is N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine is CCc1ccccc1CNCc1ccncn1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine?
The InChIKey is NNFITUXUPQTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-12-5-3-4-6-13(12)9-16-10-14-7-8-15-11-17-14/h3-8,11,16H,2,9-10H2,1H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine?
N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-pyrimidin-4-ylmethanamine is sourced from PubChem (CID 64680497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).