N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

C20H17N5O — CID 5329419

IUPACN-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C20H17N5O/c1-26-17-9-5-8-16(14-17)23-20-22-11-10-18(24-20)25-13-12-21-19(25)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,23,24)
InChIKeyRGQCKSICTLMEDR-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.08
Rot. Bonds5

About N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine

N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329419) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329419
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1
InChIInChI=1S/C20H17N5O/c1-26-17-9-5-8-16(14-17)23-20-22-11-10-18(24-20)25-13-12-21-19(25)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,23,24)
InChIKeyRGQCKSICTLMEDR-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-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329419) is N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is COc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is RGQCKSICTLMEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-17-9-5-8-16(14-17)23-20-22-11-10-18(24-20)25-13-12-21-19(25)15-6-3-2-4-7-15/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(3-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-(3-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).