2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

C20H25N7O — CID 117083396

IUPAC2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C20H25N7O/c1-16-14-19(22-7-8-26-10-12-28-13-11-26)25-20(23-16)24-17-2-4-18(5-3-17)27-9-6-21-15-27/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyNFKITQZJVJSGNE-UHFFFAOYSA-N
MW379.47 g/mol
LogP2.46
Rot. Bonds7

About 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine

2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 117083396) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID117083396
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCCN2CCOCC2)nc(Nc2ccc(-n3ccnc3)cc2)n1
InChIInChI=1S/C20H25N7O/c1-16-14-19(22-7-8-26-10-12-28-13-11-26)25-20(23-16)24-17-2-4-18(5-3-17)27-9-6-21-15-27/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,22,23,24,25)
InChIKeyNFKITQZJVJSGNE-UHFFFAOYSA-N
XLogP2.46
TPSA80.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
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
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
2-N-tert-butyl-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913170
2-N-(2-bromophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913247
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
N-[4-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112913388
2-N-(4-chloro-2-methylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913213
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
2-N,2-N-diethyl-6-N-(4-imidazol-1-ylphenyl)-4-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 117088512

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine (CID 117083396) is 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is Cc1cc(NCCN2CCOCC2)nc(Nc2ccc(-n3ccnc3)cc2)n1.
What is the InChIKey of 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is NFKITQZJVJSGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-16-14-19(22-7-8-26-10-12-28-13-11-26)25-20(23-16)24-17-2-4-18(5-3-17)27-9-6-21-15-27/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 379.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-imidazol-1-ylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117083396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).