N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine

C14H19N5 — CID 63256061

IUPACN'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCc1cnc(NCCCNCc2cccnc2)nc1
InChIInChI=1S/C14H19N5/c1-12-8-18-14(19-9-12)17-7-3-6-16-11-13-4-2-5-15-10-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,17,18,19)
InChIKeyVXBVERPSZPGFSU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds7

About N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine

N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine (PubChem CID 63256061) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
PubChem CID63256061
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine
SMILESCc1cnc(NCCCNCc2cccnc2)nc1
InChIInChI=1S/C14H19N5/c1-12-8-18-14(19-9-12)17-7-3-6-16-11-13-4-2-5-15-10-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,17,18,19)
InChIKeyVXBVERPSZPGFSU-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-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523
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
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
3-methylsulfanyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 28671888
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
2-(pyridin-3-ylmethylamino)ethanethiol;3-(pyridin-3-ylmethylamino)propane-1-thiol
CID 160887508
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
N'-furo[3,2-c]pyridin-4-yl-N-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 106535281

Frequently Asked Questions

What is the IUPAC name of N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine (CID 63256061) is N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine is Cc1cnc(NCCCNCc2cccnc2)nc1.
What is the InChIKey of N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
The InChIKey is VXBVERPSZPGFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-12-8-18-14(19-9-12)17-7-3-6-16-11-13-4-2-5-15-10-13/h2,4-5,8-10,16H,3,6-7,11H2,1H3,(H,17,18,19).
What are the key properties of N'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine?
N'-(5-methylpyrimidin-2-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'-(5-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 63256061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).