4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

C22H26N4O2 — CID 112937807

IUPAC4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)26-20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(27-4)11-12-19(18)28-5/h6-14H,1-5H3,(H2,23,24,25,26)
InChIKeyAIAMJKFVPQZWJV-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.11
Rot. Bonds6

About 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937807) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937807
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)c1
InChIInChI=1S/C22H26N4O2/c1-22(2,3)26-20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(27-4)11-12-19(18)28-5/h6-14H,1-5H3,(H2,23,24,25,26)
InChIKeyAIAMJKFVPQZWJV-UHFFFAOYSA-N
XLogP5.11
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924686
4-N-tert-butyl-2-N-(2,4-difluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937826
3-N-tert-butyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959071
N-tert-butyl-6-methoxy-2-phenylquinolin-4-amine
CID 166442199
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90189713
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-(2,5-dimethoxyphenyl)-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929390
4-N-[3-(dimethylamino)propyl]-2-N-(3-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936139
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937206
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937807) is 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is AIAMJKFVPQZWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-22(2,3)26-20-14-17(15-9-7-6-8-10-15)23-21(25-20)24-18-13-16(27-4)11-12-19(18)28-5/h6-14H,1-5H3,(H2,23,24,25,26).
What are the key properties of 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 378.48 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).