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

C21H28ClN5O2 — CID 91433559

IUPAC2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCc1nc(OC(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nc(C)c1N
InChIInChI=1S/C21H28ClN5O2/c1-13-19(23)14(2)25-21(24-13)29-15(3)20(28)26-18-8-10-27(11-9-18)12-16-4-6-17(22)7-5-16/h4-7,15,18H,8-12,23H2,1-3H3,(H,26,28)
InChIKeyWBUZHNZXFHGJFI-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.88
Rot. Bonds6

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

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 91433559) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
PubChem CID91433559
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
SMILESCc1nc(OC(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nc(C)c1N
InChIInChI=1S/C21H28ClN5O2/c1-13-19(23)14(2)25-21(24-13)29-15(3)20(28)26-18-8-10-27(11-9-18)12-16-4-6-17(22)7-5-16/h4-7,15,18H,8-12,23H2,1-3H3,(H,26,28)
InChIKeyWBUZHNZXFHGJFI-UHFFFAOYSA-N
XLogP2.88
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 90832663
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
2-(4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 90925730
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 46539519
(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclopentylpropanamide
CID 9389740

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide (CID 91433559) is 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is Cc1nc(OC(C)C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)nc(C)c1N.
What is the InChIKey of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is WBUZHNZXFHGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-13-19(23)14(2)25-21(24-13)29-15(3)20(28)26-18-8-10-27(11-9-18)12-16-4-6-17(22)7-5-16/h4-7,15,18H,8-12,23H2,1-3H3,(H,26,28).
What are the key properties of 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide?
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 417.94 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 91433559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).