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

C20H17N5O — CID 5329420

IUPACN-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5O/c1-26-17-9-7-16(8-10-17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-5-3-2-4-6-15/h2-14H,1H3,(H,22,23,24)
InChIKeyQEDGWRJJPHEGPB-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.08
Rot. Bonds5

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

N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329420) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329420
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5O/c1-26-17-9-7-16(8-10-17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-5-3-2-4-6-15/h2-14H,1H3,(H,22,23,24)
InChIKeyQEDGWRJJPHEGPB-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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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
2-(2,6-Difluorophenoxy)-N-(2-fluorophenyl)-9-isopropyl-9H-purin-8-amine
CID 9543517
9-butyl-8-(4-methoxybenzyl)-9H-purin-6-amine
CID 5289227
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2-[(4-Methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one
CID 145714280
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine (CID 5329420) is N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is QEDGWRJJPHEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-17-9-7-16(8-10-17)23-20-22-12-11-18(24-20)25-14-13-21-19(25)15-5-3-2-4-6-15/h2-14H,1H3,(H,22,23,24).
What are the key properties of N-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine?
N-(4-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-(4-methoxyphenyl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).