4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine

C21H24N4O — CID 112863831

IUPAC4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-20-13-19(22-15-23-20)24-17-9-11-18(12-10-17)26-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyGXNNXHICPKSEGG-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.01
Rot. Bonds6

About 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine

4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112863831) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112863831
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
SMILESCC(C)(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1
InChIInChI=1S/C21H24N4O/c1-21(2,3)25-20-13-19(22-15-23-20)24-17-9-11-18(12-10-17)26-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyGXNNXHICPKSEGG-UHFFFAOYSA-N
XLogP5.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-tert-butyl-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine
CID 112863830
6-N-(4-phenylmethoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112854646
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
3-N-tert-butyl-5-N-(4-phenylmethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959095
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
4-N-tert-butyl-6-N-(3,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112863770
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
4-chloro-N-(4-phenylmethoxyphenyl)-1,3,5-triazin-2-amine
CID 22496155
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine (CID 112863831) is 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine is CC(C)(C)Nc1cc(Nc2ccc(OCc3ccccc3)cc2)ncn1.
What is the InChIKey of 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GXNNXHICPKSEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-21(2,3)25-20-13-19(22-15-23-20)24-17-9-11-18(12-10-17)26-14-16-7-5-4-6-8-16/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine?
4-N-tert-butyl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 348.45 g/mol, XLogP of 5.01, 6 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-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112863831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).