4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine

C11H13N5 — CID 79918710

IUPAC4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCN(Cc1ccccn1)c1ncncc1N
InChIInChI=1S/C11H13N5/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7,12H2,1H3
InChIKeyTXWDVJLKDKLBOB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.09
Rot. Bonds3

About 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine

4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 79918710) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID79918710
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCN(Cc1ccccn1)c1ncncc1N
InChIInChI=1S/C11H13N5/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7,12H2,1H3
InChIKeyTXWDVJLKDKLBOB-UHFFFAOYSA-N
XLogP1.09
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66340183
5-bromo-4-N-methyl-4-N-(pyridin-2-ylmethyl)pyridine-3,4-diamine
CID 103517732
4-N-[(4-ethylphenyl)methyl]-4-N-methylpyrimidine-4,5-diamine
CID 79918508
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
4-chloro-6-[methyl(pyridin-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66335136
7-chloro-N-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 86839611
4-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridazin-3-amine
CID 80507638
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine (CID 79918710) is 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is CN(Cc1ccccn1)c1ncncc1N.
What is the InChIKey of 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is TXWDVJLKDKLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16(7-9-4-2-3-5-14-9)11-10(12)6-13-8-15-11/h2-6,8H,7,12H2,1H3.
What are the key properties of 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine?
4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79918710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).