4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

C17H19N5O2 — CID 30160578

IUPAC4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cccc([C@@H](Nc2nccc(OC)n2)c2nccn2C)c1
InChIInChI=1S/C17H19N5O2/c1-22-10-9-18-16(22)15(12-5-4-6-13(11-12)23-2)21-17-19-8-7-14(20-17)24-3/h4-11,15H,1-3H3,(H,19,20,21)/t15-/m1/s1
InChIKeyOFIRGAGBEJHETG-OAHLLOKOSA-N
MW325.37 g/mol
LogP2.43
Rot. Bonds6

About 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine

4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 30160578) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID30160578
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cccc([C@@H](Nc2nccc(OC)n2)c2nccn2C)c1
InChIInChI=1S/C17H19N5O2/c1-22-10-9-18-16(22)15(12-5-4-6-13(11-12)23-2)21-17-19-8-7-14(20-17)24-3/h4-11,15H,1-3H3,(H,19,20,21)/t15-/m1/s1
InChIKeyOFIRGAGBEJHETG-OAHLLOKOSA-N
XLogP2.43
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxypyrimidin-2-amine
CID 94497913
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467708
(1S)-N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 94193703
N-[bis(3-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 133356956
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylquinazolin-4-amine
CID 92535647
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine (CID 30160578) is 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is COc1cccc([C@@H](Nc2nccc(OC)n2)c2nccn2C)c1.
What is the InChIKey of 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is OFIRGAGBEJHETG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22-10-9-18-16(22)15(12-5-4-6-13(11-12)23-2)21-17-19-8-7-14(20-17)24-3/h4-11,15H,1-3H3,(H,19,20,21)/t15-/m1/s1.
What are the key properties of 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine?
4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 30160578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).