N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine

C14H19N5 — CID 55168209

IUPACN'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCc1nccc(NCCCNCc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-12-17-9-5-14(19-12)18-8-3-7-16-11-13-4-2-6-15-10-13/h2,4-6,9-10,16H,3,7-8,11H2,1H3,(H,17,18,19)
InChIKeyLPDKGGUCADRFGD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds7

About N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine

N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 55168209) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID55168209
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCc1nccc(NCCCNCc2cccnc2)n1
InChIInChI=1S/C14H19N5/c1-12-17-9-5-14(19-12)18-8-3-7-16-11-13-4-2-6-15-10-13/h2,4-6,9-10,16H,3,7-8,11H2,1H3,(H,17,18,19)
InChIKeyLPDKGGUCADRFGD-UHFFFAOYSA-N
XLogP1.77
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 63256061
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 106535281
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
2-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-thiazole-5-sulfonamide
CID 103951403
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 55168209) is N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine is Cc1nccc(NCCCNCc2cccnc2)n1.
What is the InChIKey of N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is LPDKGGUCADRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-17-9-5-14(19-12)18-8-3-7-16-11-13-4-2-6-15-10-13/h2,4-6,9-10,16H,3,7-8,11H2,1H3,(H,17,18,19).
What are the key properties of N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55168209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).