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

C12H14N4 — CID 62760038

IUPAC1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)c1ccncc1
InChIInChI=1S/C12H14N4/c1-10(11-2-5-13-6-3-11)15-8-12-4-7-14-9-16-12/h2-7,9-10,15H,8H2,1H3
InChIKeyXNYVQDSZDQPKQG-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.72
Rot. Bonds4

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

1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine (PubChem CID 62760038) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
PubChem CID62760038
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
SMILESCC(NCc1ccncn1)c1ccncc1
InChIInChI=1S/C12H14N4/c1-10(11-2-5-13-6-3-11)15-8-12-4-7-14-9-16-12/h2-7,9-10,15H,8H2,1H3
InChIKeyXNYVQDSZDQPKQG-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

N-(pyrimidin-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62748716
1-(4-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759306
1-(4-ethoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62748905
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
N-(pyrimidin-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62747287
1-(5-methyl-1,3-oxazol-2-yl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 106387875
(2S)-3-methyl-2-(pyrimidin-4-ylmethylamino)butan-1-ol
CID 79253689
1-[3-(difluoromethoxy)phenyl]-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62759490
(1R)-1-(2-methoxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 81397926
1-pyridin-4-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62759133
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760766
1-(2,5-dichlorophenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 114110724

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine?
The IUPAC name of 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine (CID 62760038) is 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine?
The canonical SMILES for 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine is CC(NCc1ccncn1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine?
The InChIKey is XNYVQDSZDQPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-10(11-2-5-13-6-3-11)15-8-12-4-7-14-9-16-12/h2-7,9-10,15H,8H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine?
1-pyridin-4-yl-N-(pyrimidin-4-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-4-ylmethyl)ethanamine is sourced from PubChem (CID 62760038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).