4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine

C23H28N4O — CID 112881490

IUPAC4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4O/c1-23(2,3)27-21-16-20(25-22(26-21)18-8-6-5-7-9-18)24-15-14-17-10-12-19(28-4)13-11-17/h5-13,16H,14-15H2,1-4H3,(H2,24,25,26,27)
InChIKeyVCOFYGYPRXVXTI-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.02
Rot. Bonds7

About 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine

4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine (PubChem CID 112881490) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
PubChem CID112881490
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(CCNc2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H28N4O/c1-23(2,3)27-21-16-20(25-22(26-21)18-8-6-5-7-9-18)24-15-14-17-10-12-19(28-4)13-11-17/h5-13,16H,14-15H2,1-4H3,(H2,24,25,26,27)
InChIKeyVCOFYGYPRXVXTI-UHFFFAOYSA-N
XLogP5.02
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine
CID 112879467
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
CID 117093130
6-N-[(4-methoxyphenyl)methyl]-2-phenyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112881287
4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872053
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 117084765

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine (CID 112881490) is 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine is COc1ccc(CCNc2cc(NC(C)(C)C)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
The InChIKey is VCOFYGYPRXVXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-23(2,3)27-21-16-20(25-22(26-21)18-8-6-5-7-9-18)24-15-14-17-10-12-19(28-4)13-11-17/h5-13,16H,14-15H2,1-4H3,(H2,24,25,26,27).
What are the key properties of 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine has a molecular weight of 376.50 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-N-[2-(4-methoxyphenyl)ethyl]-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112881490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).