N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine

C13H16N4 — CID 105118897

IUPACN-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccc(C)nc1
InChIInChI=1S/C13H16N4/c1-3-16-13(12-6-14-9-15-7-12)11-5-4-10(2)17-8-11/h4-9,13,16H,3H2,1-2H3
InChIKeyMLTVSUJRSHRUOS-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.88
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine

N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 105118897) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID105118897
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccc(C)nc1
InChIInChI=1S/C13H16N4/c1-3-16-13(12-6-14-9-15-7-12)11-5-4-10(2)17-8-11/h4-9,13,16H,3H2,1-2H3
InChIKeyMLTVSUJRSHRUOS-UHFFFAOYSA-N
XLogP1.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55165244
N-[(6-methyl-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 105144382
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(4-fluoro-3-methylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155426
N-[(3-iodophenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854960
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-[(3-methylfuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104805386
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(2,4-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854963
N-[(5-chlorofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 106692001
N-[(5-bromofuran-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854954
N-[(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 63155416

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine (CID 105118897) is N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1ccc(C)nc1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is MLTVSUJRSHRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-16-13(12-6-14-9-15-7-12)11-5-4-10(2)17-8-11/h4-9,13,16H,3H2,1-2H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 228.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 105118897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).