4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine

C11H13N5 — CID 62698618

IUPAC4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
SMILESCN(Cc1ncccn1)c1ccncc1N
InChIInChI=1S/C11H13N5/c1-16(8-11-14-4-2-5-15-11)10-3-6-13-7-9(10)12/h2-7H,8,12H2,1H3
InChIKeyRYYKTSKCYLYPRJ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.09
Rot. Bonds3

About 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine

4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine (PubChem CID 62698618) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
PubChem CID62698618
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
SMILESCN(Cc1ncccn1)c1ccncc1N
InChIInChI=1S/C11H13N5/c1-16(8-11-14-4-2-5-15-11)10-3-6-13-7-9(10)12/h2-7H,8,12H2,1H3
InChIKeyRYYKTSKCYLYPRJ-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

4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
4-chloro-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)benzene-1,2-diamine
CID 107466001
4-[(3-amino-4-pyridinyl)-methylamino]-2-methylbutan-2-ol
CID 79356009
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 103173299
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
4-N-(2-methoxyethyl)-4-N-methylpyridine-3,4-diamine
CID 61360000
4-N-[2-(diethylamino)ethyl]-4-N-methylpyridine-3,4-diamine
CID 61359414
4-N-methyl-4-N-(2-pyridin-3-ylethyl)pyridine-3,4-diamine
CID 63262874
4-N-methyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3,4-diamine
CID 116616296

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine (CID 62698618) is 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine is CN(Cc1ncccn1)c1ccncc1N.
What is the InChIKey of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine?
The InChIKey is RYYKTSKCYLYPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-16(8-11-14-4-2-5-15-11)10-3-6-13-7-9(10)12/h2-7H,8,12H2,1H3.
What are the key properties of 4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine?
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-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-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 62698618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).