4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C21H31N5O — CID 112913356

IUPAC4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C21H31N5O/c1-16-15-19(24-18-7-5-17(6-8-18)21(2,3)4)25-20(23-16)22-9-10-26-11-13-27-14-12-26/h5-8,15H,9-14H2,1-4H3,(H2,22,23,24,25)
InChIKeyMDBODLOEWZUNIL-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.57
Rot. Bonds6

About 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112913356) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112913356
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccc(C(C)(C)C)cc2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C21H31N5O/c1-16-15-19(24-18-7-5-17(6-8-18)21(2,3)4)25-20(23-16)22-9-10-26-11-13-27-14-12-26/h5-8,15H,9-14H2,1-4H3,(H2,22,23,24,25)
InChIKeyMDBODLOEWZUNIL-UHFFFAOYSA-N
XLogP3.57
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112913352
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913408
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193
4-N-(2-ethyl-6-methylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913349
2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117083396
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913122
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 112913356) is 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(C(C)(C)C)cc2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is MDBODLOEWZUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-15-19(24-18-7-5-17(6-8-18)21(2,3)4)25-20(23-16)22-9-10-26-11-13-27-14-12-26/h5-8,15H,9-14H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 369.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112913356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).