2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine

C12H14N4 — CID 62758203

IUPAC2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESc1ccc(CCNCc2cncnc2)nc1
InChIInChI=1S/C12H14N4/c1-2-5-16-12(3-1)4-6-13-7-11-8-14-10-15-9-11/h1-3,5,8-10,13H,4,6-7H2
InChIKeyIAAPEOUEXLQBCW-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.20
Rot. Bonds5

About 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine

2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 62758203) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID62758203
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESc1ccc(CCNCc2cncnc2)nc1
InChIInChI=1S/C12H14N4/c1-2-5-16-12(3-1)4-6-13-7-11-8-14-10-15-9-11/h1-3,5,8-10,13H,4,6-7H2
InChIKeyIAAPEOUEXLQBCW-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

N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28579124
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 62758203) is 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine is c1ccc(CCNCc2cncnc2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is IAAPEOUEXLQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-5-16-12(3-1)4-6-13-7-11-8-14-10-15-9-11/h1-3,5,8-10,13H,4,6-7H2.
What are the key properties of 2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
2-pyridin-2-yl-N-(pyrimidin-5-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-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 62758203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).