2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine

C12H14N4 — CID 62700658

IUPAC2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESc1cnc(CNCCc2ccncc2)nc1
InChIInChI=1S/C12H14N4/c1-5-15-12(16-6-1)10-14-9-4-11-2-7-13-8-3-11/h1-3,5-8,14H,4,9-10H2
InChIKeyMBCZMKFZLABMAM-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.20
Rot. Bonds5

About 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine

2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine (PubChem CID 62700658) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
PubChem CID62700658
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
SMILESc1cnc(CNCCc2ccncc2)nc1
InChIInChI=1S/C12H14N4/c1-5-15-12(16-6-1)10-14-9-4-11-2-7-13-8-3-11/h1-3,5-8,14H,4,9-10H2
InChIKeyMBCZMKFZLABMAM-UHFFFAOYSA-N
XLogP1.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
N-[[3-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylethanamine
CID 115213067
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
N-methyl-N'-(2-pyridin-4-ylethyl)methanediamine
CID 115227249
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-4-ylethanamine
CID 62322147
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-pyridin-4-ylethanamine
CID 106372261
N-(2-pyridin-4-ylethyl)thiohydroxylamine
CID 146641300
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60647921
N-[(2-chloro-6-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944255

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine (CID 62700658) is 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine is c1cnc(CNCCc2ccncc2)nc1.
What is the InChIKey of 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine?
The InChIKey is MBCZMKFZLABMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-5-15-12(16-6-1)10-14-9-4-11-2-7-13-8-3-11/h1-3,5-8,14H,4,9-10H2.
What are the key properties of 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine?
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine has a molecular weight of 214.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62700658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).