N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C20H17N5O — CID 5329418

IUPACN-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C20H17N5O/c1-26-17-10-6-5-9-16(17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23,24)
InChIKeyOXEHMUYZPDSYHE-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.08
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329418) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329418
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1
InChIInChI=1S/C20H17N5O/c1-26-17-10-6-5-9-16(17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23,24)
InChIKeyOXEHMUYZPDSYHE-UHFFFAOYSA-N
XLogP4.08
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329418) is N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is COc1ccccc1Nc1nccc(-n2ccnc2-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is OXEHMUYZPDSYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-17-10-6-5-9-16(17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-7-3-2-4-8-15/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 343.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).