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

C21H24N4O — CID 112937801

IUPAC4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-19-14-18(15-8-6-5-7-9-15)23-20(24-19)22-16-10-12-17(26-4)13-11-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyOACHCCINOWENDV-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.11
Rot. Bonds5

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

4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112937801) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112937801
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-19-14-18(15-8-6-5-7-9-15)23-20(24-19)22-16-10-12-17(26-4)13-11-16/h5-14H,1-4H3,(H2,22,23,24,25)
InChIKeyOACHCCINOWENDV-UHFFFAOYSA-N
XLogP5.11
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-tert-butyl-2-N-(2,5-dimethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937807
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
[1-[4-[[4-(tert-butylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclobutyl] formate
CID 87525399
2-N-tert-butyl-4-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937847
1-[4-[[4-(tert-butylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]cyclopentane-1-carboxylic acid
CID 46185251
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
2-N-(4-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935671
2-N-(4-tert-butylphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935198
4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90189713
4-N-tert-butyl-2-N-(2,4-difluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937826
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112937801) is 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is COc1ccc(Nc2nc(NC(C)(C)C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is OACHCCINOWENDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)25-19-14-18(15-8-6-5-7-9-15)23-20(24-19)22-16-10-12-17(26-4)13-11-16/h5-14H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112937801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).