N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine

C13H17N5 — CID 63255523

IUPACN-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESc1cnc(NCCCNCc2cccnc2)nc1
InChIInChI=1S/C13H17N5/c1-4-12(10-14-5-1)11-15-6-2-7-16-13-17-8-3-9-18-13/h1,3-5,8-10,15H,2,6-7,11H2,(H,16,17,18)
InChIKeyLCMAJPRQGZMTTI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.46
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine

N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 63255523) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID63255523
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESc1cnc(NCCCNCc2cccnc2)nc1
InChIInChI=1S/C13H17N5/c1-4-12(10-14-5-1)11-15-6-2-7-16-13-17-8-3-9-18-13/h1,3-5,8-10,15H,2,6-7,11H2,(H,16,17,18)
InChIKeyLCMAJPRQGZMTTI-UHFFFAOYSA-N
XLogP1.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.46
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
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N'-(2-methylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 55168209
N-propyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidin-2-amine
CID 102536371
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
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
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
3-[[3-(sulfamoylamino)propylamino]methyl]pyridine
CID 114959317
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 63255523) is N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine is c1cnc(NCCCNCc2cccnc2)nc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is LCMAJPRQGZMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-4-12(10-14-5-1)11-15-6-2-7-16-13-17-8-3-9-18-13/h1,3-5,8-10,15H,2,6-7,11H2,(H,16,17,18).
What are the key properties of N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 63255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).