5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine

C13H16N4 — CID 14999852

IUPAC5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)
InChIKeyRJRSBERDOBVYQI-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.85
Rot. Bonds2

About 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine

5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 14999852) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID14999852
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Cc2cnc(N)nc2N)c1
InChIInChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17)
InChIKeyRJRSBERDOBVYQI-UHFFFAOYSA-N
XLogP1.85
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine (CID 14999852) is 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine is Cc1cc(C)cc(Cc2cnc(N)nc2N)c1.
What is the InChIKey of 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is RJRSBERDOBVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-3-9(2)5-10(4-8)6-11-7-16-13(15)17-12(11)14/h3-5,7H,6H2,1-2H3,(H4,14,15,16,17).
What are the key properties of 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine?
5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 228.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 14999852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).