2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

C22H31N5O3 — CID 90832663

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(C)Oc3nc(C)c(N)c(C)n3)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-14-20(23)15(2)25-22(24-14)30-16(3)21(28)26-18-8-10-27(11-9-18)13-17-6-5-7-19(12-17)29-4/h5-7,12,16,18H,8-11,13,23H2,1-4H3,(H,26,28)
InChIKeyZUZGXDCBRDMRQY-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.23
Rot. Bonds7

About 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 90832663) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID90832663
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(CN2CCC(NC(=O)C(C)Oc3nc(C)c(N)c(C)n3)CC2)c1
InChIInChI=1S/C22H31N5O3/c1-14-20(23)15(2)25-22(24-14)30-16(3)21(28)26-18-8-10-27(11-9-18)13-17-6-5-7-19(12-17)29-4/h5-7,12,16,18H,8-11,13,23H2,1-4H3,(H,26,28)
InChIKeyZUZGXDCBRDMRQY-UHFFFAOYSA-N
XLogP2.23
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 91433559
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55946356
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dimethylpent-4-enamide
CID 126796768
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 90925730
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-propan-2-ylsulfonylbenzamide
CID 55945588
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
3-iodo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55945445

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide (CID 90832663) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is COc1cccc(CN2CCC(NC(=O)C(C)Oc3nc(C)c(N)c(C)n3)CC2)c1.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is ZUZGXDCBRDMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-14-20(23)15(2)25-22(24-14)30-16(3)21(28)26-18-8-10-27(11-9-18)13-17-6-5-7-19(12-17)29-4/h5-7,12,16,18H,8-11,13,23H2,1-4H3,(H,26,28).
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 413.52 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 90832663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).