6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C18H20N6 — CID 19143282

IUPAC6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)c(C)c1
InChIInChI=1S/C18H20N6/c1-11-6-7-14(13(3)9-11)23-17-15(19)18(22-10-21-17)24-16-12(2)5-4-8-20-16/h4-10H,19H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyBJXOQGHVLWQHIJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.87
Rot. Bonds4

About 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 19143282) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID19143282
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)c(C)c1
InChIInChI=1S/C18H20N6/c1-11-6-7-14(13(3)9-11)23-17-15(19)18(22-10-21-17)24-16-12(2)5-4-8-20-16/h4-10H,19H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyBJXOQGHVLWQHIJ-UHFFFAOYSA-N
XLogP3.87
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136733
6-N-(2,4-dimethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143328
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 19143282) is 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)c(C)c1.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is BJXOQGHVLWQHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-11-6-7-14(13(3)9-11)23-17-15(19)18(22-10-21-17)24-16-12(2)5-4-8-20-16/h4-10H,19H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 320.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).