N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C17H24N6O3 — CID 131942655

IUPACN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)nc(N)n1
InChIInChI=1S/C17H24N6O3/c1-10-15(26-11(2)20-10)16(24)19-9-12-4-6-23(7-5-12)13-8-14(25-3)22-17(18)21-13/h8,12H,4-7,9H2,1-3H3,(H,19,24)(H2,18,21,22)
InChIKeyOLIVIULZMJXUSA-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.32
Rot. Bonds5

About N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 131942655) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID131942655
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)nc(N)n1
InChIInChI=1S/C17H24N6O3/c1-10-15(26-11(2)20-10)16(24)19-9-12-4-6-23(7-5-12)13-8-14(25-3)22-17(18)21-13/h8,12H,4-7,9H2,1-3H3,(H,19,24)(H2,18,21,22)
InChIKeyOLIVIULZMJXUSA-UHFFFAOYSA-N
XLogP1.32
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023
N-[[1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methyl]acetamide
CID 102737062
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 131914815
N-[[1-(6-fluoro-2-methylquinolin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131923088
2-ethyl-4-methyl-N-[[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 131925944
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45250223
N-[(3-chlorocyclohexyl)methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114147630
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-pyrazol-1-ylacetamide
CID 131925793
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 131942655) is N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1cc(N2CCC(CNC(=O)c3oc(C)nc3C)CC2)nc(N)n1.
What is the InChIKey of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is OLIVIULZMJXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-10-15(26-11(2)20-10)16(24)19-9-12-4-6-23(7-5-12)13-8-14(25-3)22-17(18)21-13/h8,12H,4-7,9H2,1-3H3,(H,19,24)(H2,18,21,22).
What are the key properties of N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 131942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).