2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

C23H28N4O — CID 112918230

IUPAC2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H28N4O/c1-16-14-21(24-15-17-8-6-7-9-20(17)28-5)27-22(25-16)26-19-12-10-18(11-13-19)23(2,3)4/h6-14H,15H2,1-5H3,(H2,24,25,26,27)
InChIKeyMYFCULAJENAEOC-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.45
Rot. Bonds6

About 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112918230) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112918230
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1cc(C)nc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C23H28N4O/c1-16-14-21(24-15-17-8-6-7-9-20(17)28-5)27-22(25-16)26-19-12-10-18(11-13-19)23(2,3)4/h6-14H,15H2,1-5H3,(H2,24,25,26,27)
InChIKeyMYFCULAJENAEOC-UHFFFAOYSA-N
XLogP5.45
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918255
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892179
2-N-(4-chlorophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920981
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
2-N-(2,6-dichlorophenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918282
methyl 3-[[4-[(2-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112918264
4-N-[(2-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917280
2-N-[(2-methoxyphenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916343
methyl 4-[[4-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzoate
CID 112921006
2-N-cyclohexyl-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112910525
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
2-N-[2-(2-methoxyphenyl)ethyl]-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112921043

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112918230) is 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is COc1ccccc1CNc1cc(C)nc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MYFCULAJENAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-16-14-21(24-15-17-8-6-7-9-20(17)28-5)27-22(25-16)26-19-12-10-18(11-13-19)23(2,3)4/h6-14H,15H2,1-5H3,(H2,24,25,26,27).
What are the key properties of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 376.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112918230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).