N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C21H19N5O2 — CID 5329421

IUPACN-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C21H19N5O2/c1-27-17-12-16(13-18(14-17)28-2)24-21-23-9-8-19(25-21)26-11-10-22-20(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyMHHCPQUFBADOGH-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.09
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329421) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329421
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(OC)c1
InChIInChI=1S/C21H19N5O2/c1-27-17-12-16(13-18(14-17)28-2)24-21-23-9-8-19(25-21)26-11-10-22-20(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
InChIKeyMHHCPQUFBADOGH-UHFFFAOYSA-N
XLogP4.09
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
5-[8-(3,5-Dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine
CID 5271336
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
Imidazo[1,2-c]pyrimidine-8-carboxamide, 27
CID 10005715
Imidazo[1,2-c]pyrimidine-8-carboxamide, 26
CID 10075240
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
Sdccggsk-0000152.P001
CID 11163861
Casein Kinase II Inhibitor IV
CID 11453158

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329421) is N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is MHHCPQUFBADOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-17-12-16(13-18(14-17)28-2)24-21-23-9-8-19(25-21)26-11-10-22-20(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).