2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde

C11H10N4O — CID 53406427

IUPAC2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C11H10N4O/c16-8-10-3-5-13-11(15-10)14-7-9-2-1-4-12-6-9/h1-6,8H,7H2,(H,13,14,15)
InChIKeyGXBXNWDJFJEHAT-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.30
Rot. Bonds4

About 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde

2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde (PubChem CID 53406427) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
PubChem CID53406427
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
SMILESO=Cc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C11H10N4O/c16-8-10-3-5-13-11(15-10)14-7-9-2-1-4-12-6-9/h1-6,8H,7H2,(H,13,14,15)
InChIKeyGXBXNWDJFJEHAT-UHFFFAOYSA-N
XLogP1.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde (CID 53406427) is 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde is O=Cc1ccnc(NCc2cccnc2)n1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde?
The InChIKey is GXBXNWDJFJEHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-8-10-3-5-13-11(15-10)14-7-9-2-1-4-12-6-9/h1-6,8H,7H2,(H,13,14,15).
What are the key properties of 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde?
2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde has a molecular weight of 214.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 53406427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).