N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine

C13H17N5 — CID 63986235

IUPACN-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1ccncn1
InChIInChI=1S/C13H17N5/c1-18(9-11-3-2-5-15-8-11)13(7-14)12-4-6-16-10-17-12/h2-6,8,10,13H,7,9,14H2,1H3
InChIKeyQABQZXSTYOBGDA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.00
Rot. Bonds5

About N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine

N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 63986235) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID63986235
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
SMILESCN(Cc1cccnc1)C(CN)c1ccncn1
InChIInChI=1S/C13H17N5/c1-18(9-11-3-2-5-15-8-11)13(7-14)12-4-6-16-10-17-12/h2-6,8,10,13H,7,9,14H2,1H3
InChIKeyQABQZXSTYOBGDA-UHFFFAOYSA-N
XLogP1.00
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(2-bromophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563265
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
1-(3-chloro-5-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 114453263
1-(3-bromothiophen-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 115380316
1-(4,5-dibromofuran-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62085053
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
CID 43211751
N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
CID 91837702
1-(1-benzothiophen-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62698310
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine (CID 63986235) is N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine is CN(Cc1cccnc1)C(CN)c1ccncn1.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is QABQZXSTYOBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-18(9-11-3-2-5-15-8-11)13(7-14)12-4-6-16-10-17-12/h2-6,8,10,13H,7,9,14H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine?
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63986235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).