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

C21H19N5 — CID 5329417

IUPACN-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5/c1-15-12-16(2)14-18(13-15)24-21-23-9-8-19(25-21)26-11-10-22-20(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,25)
InChIKeyAAVVJYRIFZWOQJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.69
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329417) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329417
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C21H19N5/c1-15-12-16(2)14-18(13-15)24-21-23-9-8-19(25-21)26-11-10-22-20(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,25)
InChIKeyAAVVJYRIFZWOQJ-UHFFFAOYSA-N
XLogP4.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Toreforant
CID 23650961
SB-220025
CID 5164
Rilpivirine Hydrochloride
CID 11711114
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
ML323
CID 60167849
PF-670462
CID 51049607
CR-4056
CID 24898732
L-790070
CID 9806182

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329417) is N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is AAVVJYRIFZWOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-12-16(2)14-18(13-15)24-21-23-9-8-19(25-21)26-11-10-22-20(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).