1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine

C12H14N4 — CID 62759133

IUPAC1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1ccncc1
InChIInChI=1S/C12H14N4/c1-10(12-2-4-13-5-3-12)16-8-11-6-14-9-15-7-11/h2-7,9-10,16H,8H2,1H3
InChIKeyOKGIXYXZJJIXOZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.72
Rot. Bonds4

About 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine

1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 62759133) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID62759133
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1ccncc1
InChIInChI=1S/C12H14N4/c1-10(12-2-4-13-5-3-12)16-8-11-6-14-9-15-7-11/h2-7,9-10,16H,8H2,1H3
InChIKeyOKGIXYXZJJIXOZ-UHFFFAOYSA-N
XLogP1.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
4-[1-(pyrimidin-5-ylmethylamino)ethyl]benzonitrile
CID 62758592
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
1-phenyl-N-(pyridin-4-ylmethyl)ethanamine;dihydrochloride
CID 45156207
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
(1S)-1-pyridin-4-yl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81405590
1-(3-bromophenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758584
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 62759133) is 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine is CC(NCc1cncnc1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is OKGIXYXZJJIXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-10(12-2-4-13-5-3-12)16-8-11-6-14-9-15-7-11/h2-7,9-10,16H,8H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 214.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 62759133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).