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

C22H26N4O — CID 112892179

IUPAC2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H26N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-20(26-21)24-15-16-7-5-6-8-19(16)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25,26)
InChIKeyIGDFLAVLLLZLNN-UHFFFAOYSA-N
MW362.48 g/mol
LogP5.14
Rot. Bonds6

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

2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112892179) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112892179
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1ccnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C22H26N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-20(26-21)24-15-16-7-5-6-8-19(16)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25,26)
InChIKeyIGDFLAVLLLZLNN-UHFFFAOYSA-N
XLogP5.14
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methoxyphenyl)methyl]-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112892223
2-N-(4-ethylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892170
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
2-N-(3-bromo-4-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892194
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-(4-ethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892306
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 112892179) is 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1ccccc1CNc1ccnc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is IGDFLAVLLLZLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,3)17-9-11-18(12-10-17)25-21-23-14-13-20(26-21)24-15-16-7-5-6-8-19(16)27-4/h5-14H,15H2,1-4H3,(H2,23,24,25,26).
What are the key properties of 2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine?
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.14, 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]pyrimidine-2,4-diamine is sourced from PubChem (CID 112892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).