4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine

C19H28N4 — CID 112908185

IUPAC4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H28N4/c1-6-7-12-20-17-13-14(2)21-18(23-17)22-16-11-9-8-10-15(16)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H2,20,21,22,23)
InChIKeyQXPQCIGYPMLKJH-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.04
Rot. Bonds6

About 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine

4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112908185) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112908185
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1cc(C)nc(Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C19H28N4/c1-6-7-12-20-17-13-14(2)21-18(23-17)22-16-11-9-8-10-15(16)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H2,20,21,22,23)
InChIKeyQXPQCIGYPMLKJH-UHFFFAOYSA-N
XLogP5.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-tert-butylphenyl)-4-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112912858
4-N-butyl-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908202
4-N-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
4-N-(2-tert-butylphenyl)-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911971
3-N-(2-tert-butylphenyl)-5-N-pentyl-1,2,4-triazine-3,5-diamine
CID 112959821
2-N-(2-tert-butylphenyl)-4-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915200
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
2-N-benzyl-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112915678
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
4-N-butyl-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112908206
2-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194565
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906982

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine (CID 112908185) is 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine is CCCCNc1cc(C)nc(Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QXPQCIGYPMLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-6-7-12-20-17-13-14(2)21-18(23-17)22-16-11-9-8-10-15(16)19(3,4)5/h8-11,13H,6-7,12H2,1-5H3,(H2,20,21,22,23).
What are the key properties of 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 312.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(2-tert-butylphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).