4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C20H23N5 — CID 112919628

IUPAC4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C20H23N5/c1-4-17-9-5-7-14(2)19(17)24-18-11-15(3)23-20(25-18)22-13-16-8-6-10-21-12-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyYWGJITLXEIGQGK-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.41
Rot. Bonds6

About 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919628) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919628
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCCc1cccc(C)c1Nc1cc(C)nc(NCc2cccnc2)n1
InChIInChI=1S/C20H23N5/c1-4-17-9-5-7-14(2)19(17)24-18-11-15(3)23-20(25-18)22-13-16-8-6-10-21-12-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25)
InChIKeyYWGJITLXEIGQGK-UHFFFAOYSA-N
XLogP4.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919939
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919784
2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918816
2-N-(2,3-dimethylphenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919468
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
4-N-butyl-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112908111
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-N-(2-ethyl-6-methylphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906911
6-methyl-2-N-(pyridin-3-ylmethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112919664
6-methyl-4-N-prop-2-enyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112907721
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
2-N-tert-butyl-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919442

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112919628) is 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is CCc1cccc(C)c1Nc1cc(C)nc(NCc2cccnc2)n1.
What is the InChIKey of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is YWGJITLXEIGQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-4-17-9-5-7-14(2)19(17)24-18-11-15(3)23-20(25-18)22-13-16-8-6-10-21-12-16/h5-12H,4,13H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).