2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine

C13H17N5 — CID 80822600

IUPAC2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2nc(C)nc(N)c2C)n1
InChIInChI=1S/C13H17N5/c1-8-5-4-6-11(16-8)7-15-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,15,17,18)
InChIKeyYHRSDIXSHMBYPS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds3

About 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine

2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine (PubChem CID 80822600) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
PubChem CID80822600
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine
SMILESCc1cccc(CNc2nc(C)nc(N)c2C)n1
InChIInChI=1S/C13H17N5/c1-8-5-4-6-11(16-8)7-15-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,15,17,18)
InChIKeyYHRSDIXSHMBYPS-UHFFFAOYSA-N
XLogP1.99
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
CID 62323012
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
5-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822689
2,5-dimethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80795260
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
3,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 79267863
2-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80822100
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 106041373
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
4-N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80836890

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine (CID 80822600) is 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine is Cc1cccc(CNc2nc(C)nc(N)c2C)n1.
What is the InChIKey of 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine?
The InChIKey is YHRSDIXSHMBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-5-4-6-11(16-8)7-15-13-9(2)12(14)17-10(3)18-13/h4-6H,7H2,1-3H3,(H3,14,15,17,18).
What are the key properties of 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80822600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).