2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

C26H30N6O4 — CID 24740133

IUPAC2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1CN(C)C
InChIInChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)24-13-23(28-26(29-24)22-11-10-18(3)36-22)27-25(33)15-35-21-9-7-8-20(34-6)19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
InChIKeyUEWBFSGBDNVLQX-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.94
Rot. Bonds9

About 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide

2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24740133) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24740133
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
SMILESCOc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1CN(C)C
InChIInChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)24-13-23(28-26(29-24)22-11-10-18(3)36-22)27-25(33)15-35-21-9-7-8-20(34-6)19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33)
InChIKeyUEWBFSGBDNVLQX-UHFFFAOYSA-N
XLogP3.94
TPSA107.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
CID 69262428
2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
CID 24738031
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide
CID 87758337
2-[4-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
CID 69262801
4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 156789758
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide
CID 90885941
2-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]acetamide
CID 69282397
2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24824458
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
CID 67052176
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 24824324
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
CID 11472403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide (CID 24740133) is 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is COc1cccc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)c1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is UEWBFSGBDNVLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-16-12-17(2)32(30-16)24-13-23(28-26(29-24)22-11-10-18(3)36-22)27-25(33)15-35-21-9-7-8-20(34-6)19(21)14-31(4)5/h7-13H,14-15H2,1-6H3,(H,27,28,29,33).
What are the key properties of 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide?
2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 490.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24740133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).