4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C19H21N5 — CID 112919933

IUPAC4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCc3ccncc3)n2)c1
InChIInChI=1S/C19H21N5/c1-13-8-14(2)10-17(9-13)23-18-11-15(3)22-19(24-18)21-12-16-4-6-20-7-5-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyXLCFHRAMDWHMAZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.15
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919933) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919933
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2cc(C)nc(NCc3ccncc3)n2)c1
InChIInChI=1S/C19H21N5/c1-13-8-14(2)10-17(9-13)23-18-11-15(3)22-19(24-18)21-12-16-4-6-20-7-5-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24)
InChIKeyXLCFHRAMDWHMAZ-UHFFFAOYSA-N
XLogP4.15
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960
6-methyl-4-N-(4-propan-2-ylphenyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919941
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
4-N-(2,4-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919930
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915986
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112920002
4-N-[(4-chlorophenyl)methyl]-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918009
6-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916211
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 112919933) is 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2cc(C)nc(NCc3ccncc3)n2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is XLCFHRAMDWHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-13-8-14(2)10-17(9-13)23-18-11-15(3)22-19(24-18)21-12-16-4-6-20-7-5-16/h4-11H,12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 319.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).