6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine

C16H23N5 — CID 19136733

IUPAC6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccc(C)cc2C)c1N
InChIInChI=1S/C16H23N5/c1-5-21(6-2)16-14(17)15(18-10-19-16)20-13-8-7-11(3)9-12(13)4/h7-10H,5-6,17H2,1-4H3,(H,18,19,20)
InChIKeyTVHBWEPZEVBXEL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.27
Rot. Bonds5

About 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine

6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine (PubChem CID 19136733) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
PubChem CID19136733
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
SMILESCCN(CC)c1ncnc(Nc2ccc(C)cc2C)c1N
InChIInChI=1S/C16H23N5/c1-5-21(6-2)16-14(17)15(18-10-19-16)20-13-8-7-11(3)9-12(13)4/h7-10H,5-6,17H2,1-4H3,(H,18,19,20)
InChIKeyTVHBWEPZEVBXEL-UHFFFAOYSA-N
XLogP3.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19140933
6-N-(2,4-dimethylphenyl)-4-N,4-N-bis(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19141579
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
4-N-(2,4-dimethylphenyl)-6-hydrazinylpyrimidine-4,5-diamine
CID 19143332
4-N-(2,4-dimethylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4,5-diamine
CID 19143420
4-N-(2,4-dimethylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19143286
6-N-(2,4-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19143282
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
4-N,4-N,6-N-triethylpyrimidine-4,5,6-triamine
CID 19135168
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine (CID 19136733) is 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine is CCN(CC)c1ncnc(Nc2ccc(C)cc2C)c1N.
What is the InChIKey of 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
The InChIKey is TVHBWEPZEVBXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-5-21(6-2)16-14(17)15(18-10-19-16)20-13-8-7-11(3)9-12(13)4/h7-10H,5-6,17H2,1-4H3,(H,18,19,20).
What are the key properties of 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine?
6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine has a molecular weight of 285.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,4-dimethylphenyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).